Falcetta, M.F., Fair, M.C., Slimak, S.R., Jordan, K.D., & Sommerfeld, T. (2023). Use of bound state methods to calculate partial and total widths of shape resonances. Phys Chem Chem Phys, 25(45), 31028-31039.Royal Society of Chemistry (RSC). doi: 10.1039/d3cp04154a.
Henderson, E.V., & Jordan, K.D. (2021). Two-Dimensional Adiabatic Model for Calculating Progressions Resulting from Stretch-Rock Coupling in Vibrational Spectra of Anion-Water Complexes. J Phys Chem Lett, 12(27), 6326-6329.American Chemical Society (ACS). doi: 10.1021/acs.jpclett.1c01625.
Lietard, A., Verlet, J.R.R., Slimak, S., & Jordan, K.D. (2021). Temporary Anion Resonances of Pyrene: A 2D Photoelectron Imaging and Computational Study. J Phys Chem A, 125(32), 7004-7013.American Chemical Society (ACS). doi: 10.1021/acs.jpca.1c05586.
Morales-Silva, M.A., Jordan, K.D., Shulenburger, L., & Wagner, L.K. (2021). Frontiers of stochastic electronic structure calculations. J Chem Phys, 154(17), 170401.AIP Publishing. doi: 10.1063/5.0053674.
Slimak, S.R., Jordan, K.D., & Falcetta, M.F. (2021). Role of Overlap between the Discrete State and Pseudocontinuum States in Stabilization Calculations of Metastable States. J Phys Chem A, 125(20), 4401-4408.American Chemical Society (ACS). doi: 10.1021/acs.jpca.1c02699.
Kairalapova, A., & Jordan, K.D. (2020). Analysis of the Contributions to the Kinetic and Potential Energies of an H Atom in the Presence of a Point Charge: The Molecular Virial Theorem Revisited. J Phys Chem A, 124(22), 4534-4538.American Chemical Society (ACS). doi: 10.1021/acs.jpca.0c02758.
Upadhyay, S., Dumi, A., Shee, J., & Jordan, K.D. (2020). The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions. J Chem Phys, 153(22), 224118.AIP Publishing. doi: 10.1063/5.0030942.
Yang, N., Edington, S.C., Choi, T.H., Henderson, E.V., Heindel, J.P., Xantheas, S.S., Jordan, K.D., & Johnson, M.A. (2020). Mapping the temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage. Proc Natl Acad Sci U S A, 117(42), 26047-26052.Proceedings of the National Academy of Sciences. doi: 10.1073/pnas.2017150117.
Choi, T.H., & Jordan, K.D. (2019). Model potential study of non-valence correlation-bound anions of (C60)n clusters: the role of electric field-induced charge transfer. Faraday Discuss, 217(0), 547-560.Royal Society of Chemistry (RSC). doi: 10.1039/c8fd00199e.
Henderson, B.V., & Jordan, K.D. (2019). One-Dimensional Adiabatic Model Approach for Calculating Progressions in Vibrational Spectra of Ion-Water Complexes. J Phys Chem A, 123(32), 7042-7050.American Chemical Society (ACS). doi: 10.1021/acs.jpca.9b04157.
Jordan, K.D. (2019). Smallest water clusters supporting the ice I structure. Proc Natl Acad Sci U S A, 116(49), 24383-24385.Proceedings of the National Academy of Sciences. doi: 10.1073/pnas.1918178116.
Kairalapova, A., Jordan, K.D., Falcetta, M.F., Steiner, D.K., Sutter, B.L., & Gowen, J.S. (2019). Prediction of a Non-Valence Temporary Anion State of (NaCl)2. J Phys Chem B, 123(43), 9198-9205.American Chemical Society (ACS). doi: 10.1021/acs.jpcb.9b07782.
Gasperich, K., Jordan, K.D., & Simons, J. (2018). Strategy for creating rational fraction fits to stabilization graph data on metastable electronic states. CHEMICAL PHYSICS, 515, 342-349.Elsevier. doi: 10.1016/j.chemphys.2018.07.019.
Hao, H., Shee, J., Upadhyay, S., Ataca, C., Jordan, K.D., & Rubenstein, B.M. (2018). Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods. J Phys Chem Lett, 9(21), 6185-6190.American Chemical Society (ACS). doi: 10.1021/acs.jpclett.8b02733.
Choi, T.H., Vazhappilly, T., & Jordan, K.D. (2017). Implementation of analytical gradients and of a mixed real and momentum space DVR method for excess electron systems described by a self-consistent polarization model. J Chem Phys, 147(16), 161717.AIP Publishing. doi: 10.1063/1.4990396.
Falcetta, M.F., Reilly, N.D., & Jordan, K.D. (2017). Stabilization calculations of the low-lying temporary anions states of Be, Mg, and Ca. CHEMICAL PHYSICS, 482, 239-243.Elsevier. doi: 10.1016/j.chemphys.2016.09.005.
Gasperich, K., Deible, M., & Jordan, K.D. (2017). H4: A model system for assessing the performance of diffusion Monte Carlo calculations using a single Slater determinant trial function. J Chem Phys, 147(7), 074106.AIP Publishing. doi: 10.1063/1.4986216.
Piquemal, J.P., & Jordan, K.D. (2017). Preface: Special Topic: From Quantum Mechanics to Force Fields. J Chem Phys, 147(16), 161401.AIP Publishing. doi: 10.1063/1.5008887.
Samala, N.R., & Jordan, K.D. (2017). Comment on a spurious prediction of a non-planar geometry for benzene at the MP2 level of theory. CHEMICAL PHYSICS LETTERS, 669, 230-232.Elsevier. doi: 10.1016/j.cplett.2016.12.047.
Voora, V.K., Kairalapova, A., Sommerfeld, T., & Jordan, K.D. (2017). Theoretical approaches for treating non-valence correlation-bound anions. J Chem Phys, 147(21), 214114.AIP Publishing. doi: 10.1063/1.4991497.
Archer, K.A., & Jordan, K.D. (2016). Proton-coupled electron transfer in [pyridine•(H2O)n]-, n=3, 4, clusters. CHEMICAL PHYSICS LETTERS, 661, 196-199.Elsevier. doi: 10.1016/j.cplett.2016.08.078.
Deible, M.J., & Jordan, K.D. (2016). Exploration of Brueckner orbital trial wave functions in diffusion Monte Carlo calculations. CHEMICAL PHYSICS LETTERS, 644, 117-120.Elsevier. doi: 10.1016/j.cplett.2015.11.053.
Falcetta, M.F., Fair, M.C., Tharnish, E.M., Williams, L.M., Hayes, N.J., & Jordan, K.D. (2016). Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the (2)Π shape resonance. J Chem Phys, 144(10), 104303.AIP Publishing. doi: 10.1063/1.4943132.
Falcetta, M.F., Fair, M.C., Tharnish, E.M., Williams, L.M., Hayes, N.J., & Jordan, K.D. (2016). Erratum: "Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the (2)Π shape resonance" [J. Chem. Phys. 144, 104303 (2016)]. J Chem Phys, 144(23), 239901.AIP Publishing. doi: 10.1063/1.4954510.
Gasperich, K., & Jordan, K.D. (2016). Diffusion Monte Carlo Study of the Parallel Displaced Form of the Benzene Dimer. In Recent Progress in Quantum Monte Carlo. 1234, (pp. 107-117).American Chemical Society (ACS). doi: 10.1021/bk-2016-1234.ch007.
Gorlova, O., DePalma, J.W., Wolke, C.T., Brathwaite, A., Odbadrakh, T.T., Jordan, K.D., McCoy, A.B., & Johnson, M.A. (2016). Characterization of the primary hydration shell of the hydroxide ion with H2 tagging vibrational spectroscopy of the OH- ⋅ (H2O)n=2,3 and OD- ⋅ (D2O)n=2,3 clusters. J Chem Phys, 145(13), 134304.AIP Publishing. doi: 10.1063/1.4962912.
Jordan, K.D., & Sen, K. (2016). Theoretical studies of neutral and charged water clusters. 13, 105-131.Royal Society of Chemistry (RSC). doi: 10.1039/9781782626862-00105.
Kelly, S.J., Sorescu, D.C., Wang, J., Archer, K.A., Jordan, K.D., & Maksymovych, P. (2016). Structural and electronic properties of ultrathin picene films on the Ag(100) surface. SURFACE SCIENCE, 652, 67-75.Elsevier. doi: 10.1016/j.susc.2016.02.007.
Odbadrakh, T.T., & Jordan, K.D. (2016). Dispersion dipoles for coupled Drude oscillators. J Chem Phys, 144(3), 034111.AIP Publishing. doi: 10.1063/1.4940217.
Sherman, M.C., Ams, M.R., & Jordan, K.D. (2016). Symmetry-Adapted Perturbation Theory Energy Analysis of Alkyl Fluorine-Aromatic Interactions in Torsion Balance Systems. J Phys Chem A, 120(46), 9292-9298.American Chemical Society (ACS). doi: 10.1021/acs.jpca.6b09193.
Vazhappilly, T., Marjolin, A., & Jordan, K.D. (2016). Theoretical Characterization of the Minimum-Energy Structure of (SF6)2. J Phys Chem B, 120(8), 1788-1792.American Chemical Society (ACS). doi: 10.1021/acs.jpcb.5b09419.
Wolke, C.T., Fournier, J.A., Dzugan, L.C., Fagiani, M.R., Odbadrakh, T.T., Knorke, H., Jordan, K.D., McCoy, A.B., Asmis, K.R., & Johnson, M.A. (2016). Spectroscopic snapshots of the proton-transfer mechanism in water. Science, 354(6316), 1131-1135.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.aaf8425.
Civis, S., Ferus, M., Zukalova, M., Zukal, A., Kavan, L., Jordan, K.D., & Sorescu, D.C. (2015). Oxygen Atom Exchange between Gaseous CO2 and TiO2 Nanoclusters. JOURNAL OF PHYSICAL CHEMISTRY C, 119(7), 3605-3612.American Chemical Society (ACS). doi: 10.1021/jp512059b.
DeBlase, A.F., Wolke, C.T., Weddle, G.H., Archer, K.A., Jordan, K.D., Kelly, J.T., Tschumper, G.S., Hammer, N.I., & Johnson, M.A. (2015). Water network-mediated, electron-induced proton transfer in [C5H5N ⋅ (H2O)n](-) clusters. J Chem Phys, 143(14), 144305.AIP Publishing. doi: 10.1063/1.4931928.
Deible, M.J., Kessler, M., Gasperich, K.E., & Jordan, K.D. (2015). Quantum Monte Carlo calculation of the binding energy of the beryllium dimer. J Chem Phys, 143(8), 084116.AIP Publishing. doi: 10.1063/1.4929351.
Fournier, J.A., Wolke, C.T., Johnson, M.A., Odbadrakh, T.T., Jordan, K.D., Kathmann, S.M., & Xantheas, S.S. (2015). Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H(+)(H2O)(n=2-28) Clusters. J Phys Chem A, 119(36), 9425-9440.American Chemical Society (ACS). doi: 10.1021/acs.jpca.5b04355.
Makaremi, M., Jordan, K.D., Guthrie, G.D., & Myshakin, E.M. (2015). Multiphase Monte Carlo and Molecular Dynamics Simulations of Water and CO2 Intercalation in Montmorillonite and Beidellite. JOURNAL OF PHYSICAL CHEMISTRY C, 119(27), 15112-15124.American Chemical Society (ACS). doi: 10.1021/acs.jpcc.5b01754.
Odbadrakh, T.T., Voora, V., & Jordan, K.D. (2015). Application of electronic structure methods to coupled Drude oscillators. CHEMICAL PHYSICS LETTERS, 630, 76-79.Elsevier. doi: 10.1016/j.cplett.2015.04.031.
Voora, V.K., & Jordan, K.D. (2015). Nonvalence Correlation-Bound Anion States of Polycyclic Aromatic Hydrocarbons. J Phys Chem Lett, 6(20), 3994-3997.American Chemical Society (ACS). doi: 10.1021/acs.jpclett.5b01858.
Deible, M.J., Tuguldur, O., & Jordan, K.D. (2014). Theoretical study of the binding energy of a methane molecule in a (H2O)20 dodecahedral cage. J Phys Chem B, 118(28), 8257-8263.American Chemical Society (ACS). doi: 10.1021/jp501592h.
Falcetta, M.F., DiFalco, L.A., Ackerman, D.S., Barlow, J.C., & Jordan, K.D. (2014). Assessment of various electronic structure methods for characterizing temporary anion states: application to the ground state anions of N2, C2H2, C2H4, and C6H6. J Phys Chem A, 118(35), 7489-7497.American Chemical Society (ACS). doi: 10.1021/jp5003287.
Heine, N., Kratz, E.G., Bergmann, R., Schofield, D.P., Asmis, K.R., Jordan, K.D., & McCoy, A.B. (2014). Vibrational spectroscopy of the water-nitrate complex in the O-H stretching region. J Phys Chem A, 118(37), 8188-8197.American Chemical Society (ACS). doi: 10.1021/jp500964j.
Jordan, K.D., Voora, V.K., & Simons, J. (2014). Negative electron affinities from conventional electronic structure methods. THEORETICAL CHEMISTRY ACCOUNTS, 133(3), 1-15.Springer Nature. doi: 10.1007/s00214-014-1445-1.
Karalti, O., Su, X., Al-Saidi, W.A., & Jordan, K.D. (2014). Correcting density functionals for dispersion interactions using pseudopotentials. CHEMICAL PHYSICS LETTERS, 591, 133-136.Elsevier. doi: 10.1016/j.cplett.2013.11.024.
Myshakin, E.M., Makaremi, M., Romanov, V.N., Jordan, K.D., & Guthrie, G.D. (2014). Molecular dynamics simulations of turbostratic dry and hydrated montmorillonite with intercalated carbon dioxide. J Phys Chem A, 118(35), 7454-7468.American Chemical Society (ACS). doi: 10.1021/jp500221w.
Sorescu, D.C., Byrd, E.F.C., Rice, B.M., & Jordan, K.D. (2014). Assessing the Performances of Dispersion-Corrected Density Functional Methods for Predicting the Crystallographic Properties of High Nitrogen Energetic Salts. J Chem Theory Comput, 10(11), 4982-4994.American Chemical Society (ACS). doi: 10.1021/ct5005615.
Sorescu, D.C., Civis, S., & Jordan, K.D. (2014). Mechanism of Oxygen Exchange between CO2 and TiO2(101) Anatase. JOURNAL OF PHYSICAL CHEMISTRY C, 118(3), 1628-1639.American Chemical Society (ACS). doi: 10.1021/jp410420e.
Voora, V.K., & Jordan, K.D. (2014). Nonvalence correlation-bound anion states of spherical fullerenes. Nano Lett, 14(8), 4602-4606.American Chemical Society (ACS). doi: 10.1021/nl5016574.
Voora, V.K., & Jordan, K.D. (2014). Nonvalence correlation-bound anion state of C6F6: doorway to low-energy electron capture. J Phys Chem A, 118(35), 7201-7205.American Chemical Society (ACS). doi: 10.1021/jp408386f.
DeBlase, A.F., Bloom, S., Lectka, T., Jordan, K.D., McCoy, A.B., & Johnson, M.A. (2013). Origin of the diffuse vibrational signature of a cyclic intramolecular proton bond: Anharmonic analysis of protonated 1,8-disubstituted naphthalene ions. J Chem Phys, 139(2), 024301.AIP Publishing. doi: 10.1063/1.4810878.
Lee, J., Sorescu, D.C., Deng, X., & Jordan, K.D. (2013). Water Chain Formation on TiO2(110). J Phys Chem Lett, 4(1), 53-57.American Chemical Society (ACS). doi: 10.1021/jz301727n.
Myshakin, E.M., Saidi, W.A., Romanov, V.N., Cygan, R.T., & Jordan, K.D. (2013). Molecular Dynamics Simulations of Carbon Dioxide Intercalation in Hydrated Na-Montmorillonite. JOURNAL OF PHYSICAL CHEMISTRY C, 117(21), 11028-11039.American Chemical Society (ACS). doi: 10.1021/jp312589s.
Pozun, Z.D., Su, X., & Jordan, K.D. (2013). Establishing the ground state of the disjoint diradical tetramethyleneethane with quantum Monte Carlo. J Am Chem Soc, 135(37), 13862-13869.American Chemical Society (ACS). doi: 10.1021/ja406002n.
Voora, V.K., Cederbaum, L.S., & Jordan, K.D. (2013). Existence of a Correlation Bound s-Type Anion State of C60. J Phys Chem Lett, 4(6), 849-853.American Chemical Society (ACS). doi: 10.1021/jz400195s.
Voora, V.K., Ding, J., Sommerfeld, T., & Jordan, K.D. (2013). A self-consistent polarization potential model for describing excess electrons interacting with water clusters. J Phys Chem B, 117(16), 4365-4370.American Chemical Society (ACS). doi: 10.1021/jp306940k.
Wang, F.F., Deible, M.J., & Jordan, K.D. (2013). Benchmark study of the interaction energy for an (H2O)16 cluster: quantum Monte Carlo and complete basis set limit MP2 results. J Phys Chem A, 117(32), 7606-7611.American Chemical Society (ACS). doi: 10.1021/jp404541c.
Xu, J., Deible, M.J., Peterson, K.A., & Jordan, K.D. (2013). Correlation Consistent Gaussian Basis Sets for H, B-Ne with Dirac-Fock AREP Pseudopotentials: Applications in Quantum Monte Carlo Calculations. J Chem Theory Comput, 9(5), 2170-2178.American Chemical Society (ACS). doi: 10.1021/ct300983b.
Young, J.W., Pozun, Z.D., Jordan, K.D., & Pratt, D.W. (2013). Excited electronic state mixing in 7-azaindole. Quantitative measurements using the Stark effect. J Phys Chem B, 117(49), 15695-15700.American Chemical Society (ACS). doi: 10.1021/jp406412f.
Al-Saidi, W.A., Voora, V.K., & Jordan, K.D. (2012). An Assessment of the vdW-TS Method for Extended Systems. J Chem Theory Comput, 8(4), 1503-1513.American Chemical Society (ACS). doi: 10.1021/ct200618b.
Breen, K.J., DeBlase, A.F., Guasco, T.L., Voora, V.K., Jordan, K.D., Nagata, T., & Johnson, M.A. (2012). Bottom-up view of water network-mediated CO2 reduction using cryogenic cluster ion spectroscopy and direct dynamics simulations. J Phys Chem A, 116(3), 903-912.American Chemical Society (ACS). doi: 10.1021/jp209493v.
Gerardi, H.K., DeBlase, A.F., Leavitt, C.M., Su, X., Jordan, K.D., McCoy, A.B., & Johnson, M.A. (2012). Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)2-, with vibrational and photoelectron spectroscopies. J Chem Phys, 136(13), 134318.AIP Publishing. doi: 10.1063/1.3693271.
Karalti, O., Alfè, D., Gillan, M.J., & Jordan, K.D. (2012). Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab models. Phys Chem Chem Phys, 14(21), 7846-7853.Royal Society of Chemistry (RSC). doi: 10.1039/c2cp00015f.
Piquemal, J.P., & Jordan, K.D. (2012). From quantum mechanics to force fields: new methodologies for the classical simulation of complex systems. THEORETICAL CHEMISTRY ACCOUNTS, 131(4), 1207.Springer Nature. doi: 10.1007/s00214-012-1207-x.
Sorescu, D.C., Lee, J., Al-Saidi, W.A., & Jordan, K.D. (2012). Coadsorption properties of CO2 and H2O on TiO2 rutile (110): a dispersion-corrected DFT study. J Chem Phys, 137(7), 074704.AIP Publishing. doi: 10.1063/1.4739088.
Vysotskiy, V.P., Cederbaum, L.S., Sommerfeld, T., Voora, V.K., & Jordan, K.D. (2012). Benchmark Calculations of the Energies for Binding Excess Electrons to Water Clusters. J Chem Theory Comput, 8(3), 893-900.American Chemical Society (ACS). doi: 10.1021/ct200925x.
Wang, F.F., Kumar, R., & Jordan, K.D. (2012). A distributed point polarizable force field for carbon dioxide. THEORETICAL CHEMISTRY ACCOUNTS, 131(3), 1132.Springer Nature. doi: 10.1007/s00214-012-1132-z.
Zhang, G., Al-Saidi, W.A., Myshakin, E.M., & Jordan, K.D. (2012). Dispersion-Corrected Density Functional Theory and Classical Force Field Calculations of Water Loading on a Pyrophyllite(001) Surface. JOURNAL OF PHYSICAL CHEMISTRY C, 116(32), 17134-17141.American Chemical Society (ACS). doi: 10.1021/jp305801d.
Gerardi, H.K., DeBlase, A.F., Su, X., Jordan, K.D., McCoy, A.B., & Johnson, M.A. (2011). Unraveling the Anomalous Solvatochromic Response of the Formate Ion Vibrational Spectrum: An Infrared, Ar-Tagging Study of the HCO2-, DCO2-, and HCO2-•H2O Ions. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2(19), 2437-2441.American Chemical Society (ACS). doi: 10.1021/jz200937v.
Jenness, G.R., Karalti, O., Al-Saidi, W.A., & Jordan, K.D. (2011). Evaluation of theoretical approaches for describing the interaction of water with linear acenes. J Phys Chem A, 115(23), 5955-5964.American Chemical Society (ACS). doi: 10.1021/jp110374b.
Lee, J., Sorescu, D.C., Deng, X., & Jordan, K.D. (2011). Diffusion of CO2 on the Rutile TiO2(110) Surface. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2(24), 3114-3117.American Chemical Society (ACS). doi: 10.1021/jz201339n.
Sorescu, D.C., Al-Saidi, W.A., & Jordan, K.D. (2011). CO2 adsorption on TiO2(101) anatase: a dispersion-corrected density functional theory study. J Chem Phys, 135(12), 124701.AIP Publishing. doi: 10.1063/1.3638181.
Sorescu, D.C., Lee, J., Al-Saidi, W.A., & Jordan, K.D. (2011). CO2 adsorption on TiO2(110) rutile: insight from dispersion-corrected density functional theory calculations and scanning tunneling microscopy experiments. J Chem Phys, 134(10), 104707.AIP Publishing. doi: 10.1063/1.3561300.
Voora, V.K., Al-Saidi, W.A., & Jordan, K.D. (2011). Density functional theory study of pyrophyllite and M-montmorillonites (M = Li, Na, K, Mg, and Ca): role of dispersion interactions. J Phys Chem A, 115(34), 9695-9703.American Chemical Society (ACS). doi: 10.1021/jp201277f.
Choi, T.H., & Jordan, K.D. (2010). Application of the SCC-DFTB method to H+(H2O)6, H+(H2O)21, and H+(H2O)22. J Phys Chem B, 114(20), 6932-6936.American Chemical Society (ACS). doi: 10.1021/jp912289e.
Choi, T.H., Sommerfeld, T., Yilmaz, S.L., & Jordan, K.D. (2010). Discrete Variable Representation Implementation of the One-Electron Polarization Model. J Chem Theory Comput, 6(8), 2388-2394.American Chemical Society (ACS). doi: 10.1021/ct100263r.
Douberly, G.E., Walters, R.S., Cui, J., Jordan, K.D., & Duncan, M.A. (2010). Infrared spectroscopy of small protonated water clusters, H(+)(H2O)n (n = 2-5): isomers, argon tagging, and deuteration. J Phys Chem A, 114(13), 4570-4579.American Chemical Society (ACS). doi: 10.1021/jp100778s.
Guasco, T.L., Elliott, B.M., Johnson, M.A., Ding, J., & Jordan, K.D. (2010). Isolating the Spectral Signatures of Individual Sites in Water Networks Using Vibrational Double-Resonance Spectroscopy of Cluster Isotopomers. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 1(15), 2396-2401.American Chemical Society (ACS). doi: 10.1021/jz100730q.
Jenness, G.R., Karalti, O., & Jordan, K.D. (2010). Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods. Phys Chem Chem Phys, 12(24), 6375-6381.Royal Society of Chemistry (RSC). doi: 10.1039/c000988a.
Jiang, H., & Jordan, K.D. (2010). Comparison of the Properties of Xenon, Methane, and Carbon Dioxide Hydrates from Equilibrium and Nonequilibrium Molecular Dynamics Simulations. JOURNAL OF PHYSICAL CHEMISTRY C, 114(12), 5555-5564.American Chemical Society (ACS). doi: 10.1021/jp9063406.
Jordan, K.D., & Johnson, M.A. (2010). Chemistry. Downsizing the hydrated electron's lair. Science, 329(5987), 42-43.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.1191707.
Kauffman, D.R., Sorescu, D.C., Schofield, D.P., Allen, B.L., Jordan, K.D., & Star, A. (2010). Understanding the sensor response of metal-decorated carbon nanotubes. Nano Lett, 10(3), 958-963.American Chemical Society (ACS). doi: 10.1021/nl903888c.
Kumar, R., Wang, F.F., Jenness, G.R., & Jordan, K.D. (2010). A second generation distributed point polarizable water model (vol 132, 014309, 2010). JOURNAL OF CHEMICAL PHYSICS, 132(13), 139902.AIP Publishing. doi: 10.1063/1.3371871.
Kumar, R., Wang, F.F., Jenness, G.R., & Jordan, K.D. (2010). A second generation distributed point polarizable water model. J Chem Phys, 132(1), 014309.AIP Publishing. doi: 10.1063/1.3276460.
Relph, R.A., Guasco, T.L., Elliott, B.M., Kamrath, M.Z., McCoy, A.B., Steele, R.P., Schofield, D.P., Jordan, K.D., Viggiano, A.A., Ferguson, E.E., & Johnson, M.A. (2010). How the shape of an H-bonded network controls proton-coupled water activation in HONO formation. Science, 327(5963), 308-312.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.1177118.
Wang, F.F., Jenness, G., Al-Saidi, W.A., & Jordan, K.D. (2010). Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters. J Chem Phys, 132(13), 134303.AIP Publishing. doi: 10.1063/1.3373815.
Xu, J., & Jordan, K.D. (2010). Application of the diffusion Monte Carlo method to the binding of excess electrons to water clusters. J Phys Chem A, 114(3), 1364-1366.American Chemical Society (ACS). doi: 10.1021/jp9066108.
Choi, T.H., & Jordan, K.D. (2009). Potential energy landscape of the (H2O)6- cluster. Chemical Physics Letters, 475(4-6), 293-297.Elsevier. doi: 10.1016/j.cplett.2009.05.059.
Jenness, G.R., & Jordan, K.D. (2009). DF-DFT-SAPT Investigation of the Interaction of a Water Molecule to Coronene and Dodecabenzocoronene: Implications for the Water-Graphite Interaction. JOURNAL OF PHYSICAL CHEMISTRY C, 113(23), 10242-10248.American Chemical Society (ACS). doi: 10.1021/jp9015307.
Kaledin, M., Kaledin, A.L., Bowman, J.M., Ding, J., & Jordan, K.D. (2009). Calculation of the vibrational spectra of H5O2(+) and its deuterium-substituted isotopologues by molecular dynamics simulations. J Phys Chem A, 113(26), 7671-7677.American Chemical Society (ACS). doi: 10.1021/jp900737r.
Kumar, R., Christie, R.A., & Jordan, K.D. (2009). A modified MSEVB force field for protonated water clusters. J Phys Chem B, 113(13), 4111-4118.American Chemical Society (ACS). doi: 10.1021/jp8066475.
Myshakin, E.M., Jiang, H., Warzinski, R.P., & Jordan, K.D. (2009). Molecular dynamics simulations of methane hydrate decomposition. J Phys Chem A, 113(10), 1913-1921.American Chemical Society (ACS). doi: 10.1021/jp807208z.
Relph, R.A., Elliott, B.M., Weddle, G.H., Johnson, M.A., Ding, J., & Jordan, K.D. (2009). Vibrationally induced interconversion of H-bonded NO2(-) x H2O isomers within NO2(-) x H2O x Ar(m) clusters using IR-IR pump-probe through the OH and NO stretching vibrations. J Phys Chem A, 113(6), 975-981.American Chemical Society (ACS). doi: 10.1021/jp808283r.
Schofield, D.P., & Jordan, K.D. (2009). Molecular dynamics simulations of bromine clathrate hydrates. J Phys Chem A, 113(26), 7431-7438.American Chemical Society (ACS). doi: 10.1021/jp900237j.
Baquero, E.E., James, W.H., Choi, T.H., Jordan, K.D., & Zwier, T.S. (2008). Single conformation spectroscopy of a flexible bichromophore: 3-(4-hydroxyphenyl)-N-benzylpropionamide. J Phys Chem A, 112(44), 11115-11123.American Chemical Society (ACS). doi: 10.1021/jp806787p.
Choi, T.H., & Jordan, K.D. (2008). Analytical gradient for geometry optimizations of (H2O)n- clusters as described by the PM1 polarizable model. CHEMICAL PHYSICS LETTERS, 464(4-6), 139-143.Elsevier. doi: 10.1016/j.cplett.2008.09.002.
DeFusco, A., Sommerfeld, T., & Jordan, K.D. (2008). Parallel tempering Monte Carlo simulations of the water heptamer anion. CHEMICAL PHYSICS LETTERS, 455(4-6), 135-138.Elsevier. doi: 10.1016/j.cplett.2008.02.081.
Jiang, H., Myshakin, E.M., Jordan, K.D., & Warzinski, R.P. (2008). Molecular dynamics simulations of the thermal conductivity of methane hydrate. J Phys Chem B, 112(33), 10207-10216.American Chemical Society (ACS). doi: 10.1021/jp802942v.
Lampart, W.M., Schofield, D.P., Christie, R.A., & Jordan, K.D. (2008). Model systems for exploring electron correlation effects in the buckling of SiSi dimers on the Si(100) surface. MOLECULAR PHYSICS, 106(12-13), 1697-1702.Taylor & Francis. doi: 10.1080/00268970802317504.
Lee, J., Sorescu, D.C., Jordan, K.D., & Yates, J.T.J. (2008). Hydroxyl Chain Formation on the Cu(110) Surface: Watching Water Dissociation. JOURNAL OF PHYSICAL CHEMISTRY C, 112(45), 17672-17677.American Chemical Society (ACS). doi: 10.1021/jp807467x.
Maksymovych, P., Sorescu, D.C., Jordan, K.D., & Yates, J.T. (2008). Collective reactivity of molecular chains self-assembled on a surface. Science, 322(5908), 1664-1667.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.1165291.
Roscioli, J.R., Hammer, N.I., Johnson, M.A., Diri, K., & Jordan, K.D. (2008). Exploring the correlation between network structure and electron binding energy in the (H(2)O)(7)(-) cluster through isomer-photoselected vibrational predissociation spectroscopy and ab initio calculations: addressing complexity beyond types I-III. J Chem Phys, 128(10), 104314.AIP Publishing. doi: 10.1063/1.2827475.
Sommerfeld, T., DeFusco, A., & Jordan, K.D. (2008). Model potential approaches for describing the interaction of excess electrons with water clusters: incorporation of long-range correlation effects. J Phys Chem A, 112(44), 11021-11035.American Chemical Society (ACS). doi: 10.1021/jp806077h.
Agbo, J.K., Leitner, D.M., Myshakin, E.M., & Jordan, K.D. (2007). Quantum energy flow and the kinetics of water shuttling between hydrogen bonding sites on trans-formanilide. J Chem Phys, 127(6), 064315.AIP Publishing. doi: 10.1063/1.2754689.
Defusco, A., Schofield, D.P., & Jordan, K.D. (2007). Comparison of models with distributed polarizable sites for describing water clusters. MOLECULAR PHYSICS, 105(19-22), 2681-2696.Taylor & Francis. doi: 10.1080/00268970701620669.
Jiang, H., Jordan, K.D., & Taylor, C.E. (2007). Molecular dynamics simulations of methane hydrate using polarizable force fields. J Phys Chem B, 111(23), 6486-6492.American Chemical Society (ACS). doi: 10.1021/jp068505k.
Liu, H., Deng, K., Cohen, T., & Jordan, K.D. (2007). Computational study of the stereochemistry of intramolecular carbolithiation of an alkene by a secondary alkyllithium: stereochemistry change caused by a single THF molecule of solvation. Org Lett, 9(10), 1911-1914.American Chemical Society (ACS). doi: 10.1021/ol070453+.
Liu, H., Deng, K., Cohen, T., & Jordan, K.D. (2007). Computational study of the stereochemistry of intramolecular carbolithiation of an alkene by a secondary alkyllithium: Stereochemistry change caused by a single THF molecule of solvation. Organic Letters, 9(10), 1911-1914.American Chemical Society (ACS). doi: 10.1021/ol070453.
Schneider, H., Weber, J.M., Myshakin, E.M., Jordan, K.D., Bopp, J., Herden, T., & Johnson, M.A. (2007). Theoretical and infrared spectroscopic investigation of the O(2) (-).benzene and O(4) (-).benzene complexes. J Chem Phys, 127(8), 084319.AIP Publishing. doi: 10.1063/1.2759929.
Schofield, D.P., & Jordan, K.D. (2007). Theoretical investigation of the electronically excited states of chlorine hydrate. J Phys Chem A, 111(32), 7690-7694.American Chemical Society (ACS). doi: 10.1021/jp073068a.
Shubert, V.A., Baquero, E.E., Clarkson, J.R., James, W.H., Turk, J.A., Hare, A.A., Worrel, K., Lipton, M.A., Schofield, D.P., Jordan, K.D., & Zwier, T.S. (2007). Entropy-driven population distributions in a prototypical molecule with two flexible side chains: O-(2-acetamidoethyl)-N-acetyltyramine. J Chem Phys, 127(23), 234315.AIP Publishing. doi: 10.1063/1.2803076.
Zhang, D., Chippada, U., & Jordan, K. (2007). Effect of the structural water on the mechanical properties of collagen-like microfibrils: a molecular dynamics Study. Ann Biomed Eng, 35(7), 1216-1230.Springer Nature. doi: 10.1007/s10439-007-9296-8.
Bayden, A.S., Brummond, K.M., & Jordan, K.D. (2006). Computational Insight Concerning Catalytic Decision Points of the Transition Metal Catalyzed [2 + 2 + 1] Cyclocarbonylation Reaction of Allenes. Organometallics, 25(22), 5204-5206.American Chemical Society (ACS). doi: 10.1021/om0607503.
Cui, J., Liu, H., & Jordan, K.D. (2006). Theoretical characterization of the (H2O)21 cluster: application of an n-body decomposition procedure. J Phys Chem B, 110(38), 18872-18878.American Chemical Society (ACS). doi: 10.1021/jp056416m.
Li, B., Zhao, J., Onda, K., Jordan, K.D., Yang, J., & Petek, H. (2006). Ultrafast interfacial proton-coupled electron transfer. Science, 311(5766), 1436-1440.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.1122190.
McCarthy, V.N., & Jordan, K.D. (2006). Structure and stability of the (H2O)21 and (H2O)20 • (H2S) clusters:: Relevance of cluster systems to gas hydrate formation. CHEMICAL PHYSICS LETTERS, 429(1-3), 166-168.Elsevier. doi: 10.1016/j.cplett.2006.06.120.
Sommerfeld, T., & Jordan, K.D. (2006). Electron binding motifs of (H2O)n- clusters. J Am Chem Soc, 128(17), 5828-5833.American Chemical Society (ACS). doi: 10.1021/ja0587446.
Sommerfeld, T., Gardner, S.D., DeFusco, A., & Jordan, K.D. (2006). Low-lying isomers and finite temperature behavior of (H2O)6 -. J Chem Phys, 125(17), 174301.AIP Publishing. doi: 10.1063/1.2358984.
Suzuki, T., Sorescu, D.C., Jordan, K.D., Levy, J., & Yates, J.T. (2006). The chemisorption of coronene on Si(001)-2 x 1. J Chem Phys, 124(5), 054701.AIP Publishing. doi: 10.1063/1.2161195.
Zhao, J., Li, B., Jordan, K.D., Yang, J., & Petek, H. (2006). Interplay between hydrogen bonding and electron solvation on hydrated TiO2(110). PHYSICAL REVIEW B, 73(19), 195309.American Physical Society (APS). doi: 10.1103/PhysRevB.73.195309.
Christie, R.A., & Jordan, K.D. (2005). n-body decomposition approach to the calculation of interaction energies of water clusters. INTERMOLECULAR FORCES AND CLUSTERS II, 116, 27-41.Springer Nature. doi: 10.1007/430_003.
Christie, R.A., & Jordan, K.D. (2005). Monte Carlo simulations of the finite temperature properties of (H2O)6. In Theory and Applications of Computational Chemistry. (pp. 995-1009).Elsevier. doi: 10.1016/b978-044451719-7/50078-0.
Clarkson, J.R., Baquero, E., Shubert, V.A., Myshakin, E.M., Jordan, K.D., & Zwier, T.S. (2005). Laser-initiated shuttling of a water molecule between H-bonding sites. Science, 307(5714), 1443-1446.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.1106977.
Clarkson, J.R., Dian, B.C., Moriggi, L., DeFusco, A., McCarthy, V., Jordan, K.D., & Zwier, T.S. (2005). Direct measurement of the energy thresholds to conformational isomerization in tryptamine: experiment and theory. J Chem Phys, 122(21), 214311.AIP Publishing. doi: 10.1063/1.1924454.
Diken, E.G., Hammer, N.I., Johnson, M.A., Christie, R.A., & Jordan, K.D. (2005). Mid-infrared characterization of the NH4 +(H2O)n clusters in the neighborhood of the n=20 "magic" number. J Chem Phys, 123(16), 164309.AIP Publishing. doi: 10.1063/1.2074487.
Diri, K., Myshakin, E.M., & Jordan, K.D. (2005). On the contribution of vibrational anharmonicity to the binding energies of water clusters. J Phys Chem A, 109(17), 4005-4009.American Chemical Society (ACS). doi: 10.1021/jp050004w.
Garrett, B.C., Dixon, D.A., Camaioni, D.M., Chipman, D.M., Johnson, M.A., Jonah, C.D., Kimmel, G.A., Miller, J.H., Rescigno, T.N., Rossky, P.J., Xantheas, S.S., Colson, S.D., Laufer, A.H., Ray, D., Barbara, P.F., Bartels, D.M., Becker, K.H., Bowen, K.H., Bradforth, S.E., Carmichael, I., Coe, J.V., Corrales, L.R., Cowin, J.P., Dupuis, M., Eisenthal, K.B., Franz, J.A., Gutowski, M.S., Jordan, K.D., Kay, B.D., Laverne, J.A., Lymar, S.V., Madey, T.E., McCurdy, C.W., Meisel, D., Mukamel, S., Nilsson, A.R., Orlando, T.M., Petrik, N.G., Pimblott, S.M., Rustad, J.R., Schenter, G.K., Singer, S.J., Tokmakoff, A., Wang, L.S., Wettig, C., & Zwier, T.S. (2005). Role of water in electron-initiated processes and radical chemistry: issues and scientific advances. Chem Rev, 105(1), 355-390.American Chemical Society (ACS). doi: 10.1021/cr030453x.
Hammer, N.I., Diken, E.G., Roscioli, J.R., Johnson, M.A., Myshakin, E.M., Jordan, K.D., McCoy, A.B., Huang, X., Bowman, J.M., & Carter, S. (2005). The vibrational predissociation spectra of the H5O2 +RGn(RG = Ar,Ne) clusters: correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion. J Chem Phys, 122(24), 244301.AIP Publishing. doi: 10.1063/1.1927522.
Hammer, N.I., Roscioli, J.R., Johnson, M.A., Myshakin, E.M., & Jordan, K.D. (2005). Infrared spectrum and structural assignment of the water trimer anion. J Phys Chem A, 109(50), 11526-11530.American Chemical Society (ACS). doi: 10.1021/jp053769c.
Headrick, J.M., Diken, E.G., Walters, R.S., Hammer, N.I., Christie, R.A., Cui, J., Myshakin, E.M., Duncan, M.A., Johnson, M.A., & Jordan, K.D. (2005). Spectral signatures of hydrated proton vibrations in water clusters. Science, 308(5729), 1765-1769.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.1113094.
Jones, L.L., Jordan, K.D., & Stillings, N.A. (2005). Molecular visualization in chemistry education: the role of multidisciplinary collaboration. Chemistry Education Research and Practice, 6(3), 136-149.Royal Society of Chemistry (RSC). doi: 10.1039/b5rp90005k.
Liu, H., & Jordan, K.D. (2005). On the convergence of parallel tempering Monte Carlo simulations of LJ38. J Phys Chem A, 109(23), 5203-5207.American Chemical Society (ACS). doi: 10.1021/jp050367w.
Onda, K., Li, B., Zhao, J., Jordan, K.D., Yang, J., & Petek, H. (2005). Wet electrons at the H2O/TiO2(110) surface. Science, 308(5725), 1154-1158.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.1109366.
Robertson, W.D., Hammer, N.I., Bartmess, J.E., Compton, R.N., Diri, K., & Jordan, K.D. (2005). Negative ions of ethylene sulfite. J Chem Phys, 122(20), 204319.AIP Publishing. doi: 10.1063/1.1913578.
Sommerfeld, T., & Jordan, K.D. (2005). Quantum Drude oscillator model for describing the interaction of excess electrons with water clusters: an application to (H2O)13(-). J Phys Chem A, 109(50), 11531-11538.American Chemical Society (ACS). doi: 10.1021/jp053768k.
Steckel, J.A., & Jordan, K.D. (2005). Theoretical Methods for Modeling Chemical Processes on Semiconductor Surfaces. In Computational Materials Chemistry. (pp. 246-265).Springer Nature. doi: 10.1007/1-4020-2117-8_6.
Walker, N.R., Walters, R.S., Tsai, M.K., Jordan, K.D., & Duncan, M.A. (2005). Infrared photodissociation spectroscopy of Mg(+)(H2O)Ar(n) complexes: isomers in progressive microsolvation. J Phys Chem A, 109(32), 7057-7067.American Chemical Society (ACS). doi: 10.1021/jp051877t.
Alfonso, D.R., Karapetian, K., Sorescu, D.C., & Jordan, K.D. (2004). Characterization of water clusters in organic molecular hosts from density functional theory calculations. JOURNAL OF PHYSICAL CHEMISTRY B, 108(11), 3431-3436.American Chemical Society (ACS). doi: 10.1021/jp0309320.
Bayden, A.S., & Jordan, K.D. (2004). Use of extended dimensions in global optimization. CHEMICAL PHYSICS LETTERS, 385(1-2), 101-104.Elsevier. doi: 10.1016/j.cplett.2003.12.059.
Hammer, N.I., Hinde, R.J., Compton, R.N., Diri, K., Jordan, K.D., Radisic, D., Stokes, S.T., & Bowen, K.H. (2004). Dipole-bound anions of highly polar molecules: ethylene carbonate and vinylene carbonate. J Chem Phys, 120(2), 685-690.AIP Publishing. doi: 10.1063/1.1629669.
Jordan, K.D. (2004). Chemistry. A fresh look at electron hydration. Science, 306(5696), 618-619.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.1104678.
Myshakin, E.M., Diri, K., & Jordan, K.D. (2004). Theoretical investigation of the neutral precursor of (H2O)6-. JOURNAL OF PHYSICAL CHEMISTRY A, 108(32), 6758-6762.American Chemical Society (ACS). doi: 10.1021/jp048726v.
Shin, J.W., Hammer, N.I., Diken, E.G., Johnson, M.A., Walters, R.S., Jaeger, T.D., Duncan, M.A., Christie, R.A., & Jordan, K.D. (2004). Infrared signature of structures associated with the H+(H2O)n (n = 6 to 27) clusters. Science, 304(5674), 1137-1140.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.1096466.
Sindelka, M., Spirko, V., Jungwirth, P., Wang, F., Mahalakshmi, S., & Jordan, K.D. (2004). Calculation of the photodetachment cross sections of the HCN- and HNC- dipole-bound anions as described by a one-electron Drude model. J Chem Phys, 121(4), 1824-1829.AIP Publishing. doi: 10.1063/1.1766296.
Tsai, M.K., Wang, F., & Jordan, K.D. (2004). Electron attachment to (H2O)2Arn clusters. JOURNAL OF PHYSICAL CHEMISTRY A, 108(15), 2912-2921.American Chemical Society (ACS). doi: 10.1021/jp037081g.
Alfonso, D.R., & Jordan, K.D. (2003). A flexible nudged elastic band program for optimization of minimum energy pathways using ab initio electronic structure methods. J Comput Chem, 24(8), 990-996.Wiley. doi: 10.1002/jcc.10233.
Florio, G.M., Zwier, T.S., Myshakin, E.M., Jordan, K.D., & Sibert, E.L. (2003). Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles anharmonic couplings. JOURNAL OF CHEMICAL PHYSICS, 118(4), 1735-1746.AIP Publishing. doi: 10.1063/1.1530573.
Hammer, N.I., Diri, K., Jordan, K.D., Desfrançois, C., & Compton, R.N. (2003). Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules. JOURNAL OF CHEMICAL PHYSICS, 119(7), 3650-3660.AIP Publishing. doi: 10.1063/1.1590959.
Jordan, K.D., & Wang, F. (2003). Theory of dipole-bound anions. Annu Rev Phys Chem, 54(1), 367-396.Annual Reviews. doi: 10.1146/annurev.physchem.54.011002.103851.
Jung, Y.S., Akinaga, Y., Jordan, K.D., & Gordon, M.S. (2003). An ab initio study of the structure of two-, three- and five-dimer silicon clusters: An approach to the Si(100) surface. THEORETICAL CHEMISTRY ACCOUNTS, 109(5), 268-273.Springer Nature. doi: 10.1007/s00214-002-0420-4.
Liu, H.B., & Jordan, K.D. (2003). Finite temperature properties of (CO2)n clusters. JOURNAL OF PHYSICAL CHEMISTRY A, 107(30), 5703-5709.American Chemical Society (ACS). doi: 10.1021/jp0345295.
Myshakin, E.M., Jordan, K.D., Robertson, W.H., Weddle, G.H., & Johnson, M.A. (2003). Dominant structural motifs of NO-•(H2O)n complexes:: Infrared spectroscopic and ab initio studies. JOURNAL OF CHEMICAL PHYSICS, 118(11), 4945-4953.AIP Publishing. doi: 10.1063/1.1545771.
Myshakin, E.M., Jordan, K.D., Sibert, E.L., & Johnson, M.A. (2003). Large anharmonic effects in the infrared spectra of the symmetrical CH3NO2-•(H2O) and CH3CO2-•(H2O) complexes. JOURNAL OF CHEMICAL PHYSICS, 119(19), 10138-10145.AIP Publishing. doi: 10.1063/1.1616918.
Tharrington, A.N., & Jordan, K.D. (2003). Parallel-tempering Monte Carlo study of (H2O)n=6-9. JOURNAL OF PHYSICAL CHEMISTRY A, 107(38), 7380-7389.American Chemical Society (ACS). doi: 10.1021/jp030355f.
Wang, F., & Jordan, K.D. (2003). Parallel-tempering Monte Carlo simulations of the finite temperature behavior of (H2O)6-. JOURNAL OF CHEMICAL PHYSICS, 119(22), 11645-11653.AIP Publishing. doi: 10.1063/1.1624597.
Alfonso, D.R., & Jordan, K.D. (2002). Rearrangement pathways of the water trimer and tetramer anions. JOURNAL OF CHEMICAL PHYSICS, 116(9), 3612-3616.AIP Publishing. doi: 10.1063/1.1447903.
Christie, R.A., & Jordan, K.D. (2002). Finite temperature behavior of H+(H2O)6 and H+(H2O)8. JOURNAL OF PHYSICAL CHEMISTRY B, 106(33), 8376-8381.American Chemical Society (ACS). doi: 10.1021/jp0209042.
Florio, G.M., Christie, R.A., Jordan, K.D., & Zwier, T.S. (2002). Conformational preferences of jet-cooled melatonin: probing trans- and cis-amide regions of the potential energy surface. J Am Chem Soc, 124(34), 10236-10247.American Chemical Society (ACS). doi: 10.1021/ja0265916.
Munro, L.J., Tharrington, A., & Jordan, K.D. (2002). Global optimization and finite temperature simulations of atomic clusters:: Use of XenArm clusters as test systems. COMPUTER PHYSICS COMMUNICATIONS, 145(1), 1-23.Elsevier. doi: 10.1016/S0010-4655(01)00430-1.
Robertson, W.H., Johnson, M.A., Myshakin, E.M., & Jordan, K.D. (2002). Isolating the charge-transfer component of the anionic H bond via spin suppression of the intracluster proton transfer reaction in the NO-•H2O entrance channel complex. JOURNAL OF PHYSICAL CHEMISTRY A, 106(42), 10010-10014.American Chemical Society (ACS). doi: 10.1021/jp020891s.
Robertson, W.H., Karapetian, K., Ayotte, P., Jordan, K.D., & Johnson, M.A. (2002). Infrared predissociation spectroscopy of I-•(CH3OH)n, n=1,2:: Cooperativity in asymmetric solvation. JOURNAL OF CHEMICAL PHYSICS, 116(12), 4853-4857.AIP Publishing. doi: 10.1063/1.1451249.
Steckel, J.A., Jordan, K.D., & Avouris, P. (2002). Oxygen atom reactions with circumtrindene and related molecules: Analogues for the oxidation of nanotube caps. JOURNAL OF PHYSICAL CHEMISTRY A, 106(11), 2572-2579.American Chemical Society (ACS). doi: 10.1021/jp014421u.
Vila, F.D., & Jordan, K.D. (2002). Theoretical study of the dipole-bound excited states of I-(H2O)4. JOURNAL OF PHYSICAL CHEMISTRY A, 106(7), 1391-1397.American Chemical Society (ACS). doi: 10.1021/jp013169n.
Wang, F., & Jordan, K.D. (2002). Application of a Drude model to the binding of excess electrons to water clusters. JOURNAL OF CHEMICAL PHYSICS, 116(16), 6973-6981.AIP Publishing. doi: 10.1063/1.1461811.
Wang, F., Sorescu, D.C., & Jordan, K.D. (2002). Theoretical calculations of voltage-dependent STM images of acetylene on the Si(001) surface. JOURNAL OF PHYSICAL CHEMISTRY B, 106(6), 1316-1321.American Chemical Society (ACS). doi: 10.1021/jp0135048.
Woronowicz, E.A., Robertson, W.H., Weddle, G.H., Johnson, M.A., Myshakin, E.M., & Jordan, K.D. (2002). Infrared spectroscopic characterization of the symmetrical hydration motif in the SO-2•H2O complex. JOURNAL OF PHYSICAL CHEMISTRY A, 106(31), 7086-7089.American Chemical Society (ACS). doi: 10.1021/jp0211178.
Christie, R.A., & Jordan, K.D. (2001). Theoretical investigation of the H3O+(H2O)4 cluster. JOURNAL OF PHYSICAL CHEMISTRY A, 105(32), 7551-7558.American Chemical Society (ACS). doi: 10.1021/jp011241b.
Munro, L.J., Johnson, J.K., & Jordan, K.D. (2001). An interatomic potential for mercury dimer. JOURNAL OF CHEMICAL PHYSICS, 114(13), 5545-5551.AIP Publishing. doi: 10.1063/1.1351877.
Sorescu, D.C., Jordan, K.D., & Avouris, P. (2001). Theoretical study of oxygen adsorption on graphite and the (8,0) single-walled carbon nanotube. JOURNAL OF PHYSICAL CHEMISTRY B, 105(45), 11227-11232.American Chemical Society (ACS). doi: 10.1021/jp0122979.
Steckel, J.A., Phung, T., Jordan, K.D., & Nachtigall, P. (2001). Concerted use of slab and cluster models in an ab initio study of hydrogen desorption from the Si(100) surface. JOURNAL OF PHYSICAL CHEMISTRY B, 105(18), 4031-4038.American Chemical Society (ACS). doi: 10.1021/jp0035176.
Wang, F., & Jordan, K.D. (2001). A Drude-model approach to dispersion interactions in dipole-bound anions. JOURNAL OF CHEMICAL PHYSICS, 114(24), 10717-10724.AIP Publishing. doi: 10.1063/1.1376630.
Falcetta, M.F., Choi, Y., & Jordan, K.D. (2000). Ab initio investigation of the temporary anion states of perfluoroethane. JOURNAL OF PHYSICAL CHEMISTRY A, 104(42), 9605-9612.American Chemical Society (ACS). doi: 10.1021/jp001782l.
Feller, D., & Jordan, K.D. (2000). Estimating the strength of the water/single-layer graphite interaction. JOURNAL OF PHYSICAL CHEMISTRY A, 104(44), 9971-9975.American Chemical Society (ACS). doi: 10.1021/jp001766o.
Gruenloh, C.J., Carney, J.R., Hagemeister, F.C., Zwier, T.S., Wood, J.T.I.I.I., & Jordan, K.D. (2000). Resonant ion-dip infrared spectroscopy of benzene-(water)9: Expanding the cube. JOURNAL OF CHEMICAL PHYSICS, 113(6), 2290-2303.AIP Publishing. doi: 10.1063/1.482044.
Jordan, K.D. (2000). Perspective on “Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening σ bonds”. Theoretical Chemistry Accounts, 103(3-4), 286-288.Springer Nature. doi: 10.1007/s002140050037.
Shen, T.C., Steckel, J.A., & Jordan, K.D. (2000). Electron-stimulated bond rearrangements on the H/Si(100)-3 x 1 surface. SURFACE SCIENCE, 446(3), 211-218.Elsevier. doi: 10.1016/S0039-6028(99)01147-4.
Sorescu, D.C., & Jordan, K.D. (2000). Theoretical study of the adsorption of acetylene on the Si(001) surface. JOURNAL OF PHYSICAL CHEMISTRY B, 104(34), 8259-8267.American Chemical Society (ACS). doi: 10.1021/jp001353n.
Vila, F., Borowski, P., & Jordan, K.D. (2000). Theoretical study of the low-lying electronically excited states of diacetylene. JOURNAL OF PHYSICAL CHEMISTRY A, 104(39), 9009-9016.American Chemical Society (ACS). doi: 10.1021/jp001969c.
Ayotte, P., Weddle, G.H., Bailey, C.G., Johnson, M.A., Vila, F., & Jordan, K.D. (1999). Infrared spectroscopy of negatively charged water clusters: Evidence for a linear network. JOURNAL OF CHEMICAL PHYSICS, 110(13), 6268-6277.AIP Publishing. doi: 10.1063/1.478531.
Blanton, W.B., Gordon-Wylie, S.W., Clark, G.R., Jordan, K.D., Wood, J.T., Geiser, U., & Collins, T.J. (1999). Synthesis and crystallographic characterization of an octameric water complex, (H2O)8. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 121(14), 3551-3552.American Chemical Society (ACS). doi: 10.1021/ja982100z.
Falcetta, M.F., & Jordan, K.D. (1999). Ab initio investigation of the temporary anion states of silane and the linear silanes:: (SinH2n+2), n = 2-5. CHEMICAL PHYSICS LETTERS, 300(5-6), 588-594.Elsevier. doi: 10.1016/S0009-2614(98)01412-2.
Love, D.E., & Jordan, K.D. (1999). Near-threshold electron-impact excitation of the low-lying Rydberg states of ethylene. JOURNAL OF PHYSICAL CHEMISTRY A, 103(29), 5667-5670.American Chemical Society (ACS). doi: 10.1021/jp990509k.
Borowski, P., Jordan, K.D., Nichols, J., & Nachtigall, P. (1998). Investigation of a hybrid TCSCF-DFT procedure. THEORETICAL CHEMISTRY ACCOUNTS, 99(2), 135-140.Springer Nature. doi: 10.1007/s002140050315.
Clifford, E.P., Wenthold, P.G., Lineberger, W.C., Ellison, G.B., Wang, C.X., Grabowski, J.J., Vila, F., & Jordan, K.D. (1998). Properties of tetramethyleneethane (TME) as revealed by ion chemistry and ion photoelectron spectroscopy. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 0(5), 1015-1022.Royal Society of Chemistry (RSC). doi: 10.1039/a707322d.
Diep, P., Jordan, K.D., Johnson, J.K., & Beckmann, E.J. (1998). CO
Diep, P., Jordan, K.D., Johnson, J.K., & Beekman, E.J. (1998). CO2-fluorocarbon and CO2-hydrocarbon interactions from first-principles calculations. JOURNAL OF PHYSICAL CHEMISTRY A, 102(12), 2231-2236.American Chemical Society (ACS). doi: 10.1021/jp9730306.
Gruenloh, C.J., Carney, J.R., Hagemeister, F.C., Arrington, C.A., Zwier, T.S., Fredericks, S.Y., Wood, J.T., & Jordan, K.D. (1998). Resonant ion-dip infrared spectroscopy of the S4 and D2d wafer octamers in benzene-(water)8 and benzene2-(water)8. JOURNAL OF CHEMICAL PHYSICS, 109(16), 6601-6614.AIP Publishing. doi: 10.1063/1.477346.
Gutowski, M., Jordan, K.D., & Skurski, P. (1998). Electronic structure of dipole-bound anions. JOURNAL OF PHYSICAL CHEMISTRY A, 102(15), 2624-2633.American Chemical Society (ACS). doi: 10.1021/jp980123u.
Pedulla, J.M., & Jordan, K.D. (1998). Melting behavior of the (H2O)6 and (H2O)8 clusters. CHEMICAL PHYSICS, 239(1-3), 593-601.Elsevier. doi: 10.1016/S0301-0104(98)00363-2.
Pedulla, J.M., Kim, K., & Jordan, K.D. (1998). Theoretical study of the n-body interaction energies of the ring, cage and prism forms of (H2O)6. CHEMICAL PHYSICS LETTERS, 291(1-2), 78-84.Elsevier. doi: 10.1016/S0009-2614(98)00582-X.
Sanov, A., Lineberger, W.C., & Jordan, K.D. (1998). Electronic structure of (CS2)2-. JOURNAL OF PHYSICAL CHEMISTRY A, 102(15), 2509-2511.American Chemical Society (ACS). doi: 10.1021/jp9809639.
Sanov, A., Nandi, S., Jordan, K.D., & Lineberger, W.C. (1998). Photochemistry of (OCS)n- cluster ions. JOURNAL OF CHEMICAL PHYSICS, 109(4), 1264-1270.AIP Publishing. doi: 10.1063/1.476677.
Fredericks, S.Y., & Jordan, K.D. (1997). On the possible existence of a charge-separated (H3O+)(4)(OH-)(4) form of (H2O)(8). MOLECULAR PHYSICS, 92(3), 445-448.Taylor & Francis. doi: 10.1080/00268979709482115.
Fredericks, S.Y., Pedulla, J.M., Jordan, K.D., & Zwier, T.S. (1997). OH stretch IR spectra of (H2O)3 and benzene-(H2O)3. Theoretical Chemistry Accounts, 96(1), 51-55.Springer Nature. doi: 10.1007/s002140050203.
Gruenloh, C.J., Carney, J.R., Arrington, C.A., Zwier, T.S., Fredericks, S.Y., & Jordan, K.D. (1997). Infrared spectrum of a molecular ice cube: The S-4 and D-2d water octamers in benzene-(water)(8). SCIENCE, 276(5319), 1678-1681.American Association for the Advancement of Science (AAAS). doi: 10.1126/science.276.5319.1678.
Gutowski, M., Skurski, P., Jordan, K.D., & Simons, J. (1997). Energies of dipole-bound anionic states. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 64(2), 183-191.Wiley. doi: 10.1002/(SICI)1097-461X(1997)64:2<183::AID-QUA5>3.0.CO;2-S.
Burrow, P.D., Gallup, G.A., Fabrikant, I.I., & Jordan, K.D. (1996). Dissociative attachment studies of halogen-containing molecules: Problems, applications and challenges. AUSTRALIAN JOURNAL OF PHYSICS, 49(2), 403-423.CSIRO Publishing. doi: 10.1071/PH960403.
Fredericks, S.Y., Jordan, K.D., & Zwier, T.S. (1996). Theoretical characterization of the structures and vibrational spectra of Benzene-(H2O)(n) (n=1-3) clusters. JOURNAL OF PHYSICAL CHEMISTRY, 100(19), 7810-7821.American Chemical Society (ACS). doi: 10.1021/jp9535710.
Frost, R.K., Hagemeister, F.C., Arrington, C.A., Schleppenbach, D., Zwier, T.S., & Jordan, K.D. (1996). Fluorescence-dip infrared spectroscopy of the tropolone-H2O complex. JOURNAL OF CHEMICAL PHYSICS, 105(7), 2605-2617.AIP Publishing. doi: 10.1063/1.472125.
Frost, R.K., Hagemeister, F.C., Arrington, C.A., Zwier, T.S., & Jordan, K.D. (1996). Fluorescence-dip infrared spectroscopy of tropolone and tropolone-OD. JOURNAL OF CHEMICAL PHYSICS, 105(7), 2595-2604.AIP Publishing. doi: 10.1063/1.472119.
Gutowski, M., Skurski, P., Boldyrev, A.I., Simons, J., & Jordan, K.D. (1996). Contribution of electron correlation to the stability of dipole-bound anionic states. Phys Rev A, 54(3), 1906-1909.American Physical Society (APS). doi: 10.1103/physreva.54.1906.
Love, D.E., Nachtigallova, D., Jordan, K.D., Lawson, J.M., & PaddonRow, M.N. (1996). Electronically excited states of 1,4:5,8-bismethano-1,4,4a,5,8,8a-hexahydronaphthalene, a nonconjugated diene: Comparison of theory and experiment. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 118(6), 1235-1240.American Chemical Society (ACS). doi: 10.1021/ja9534664.
Love, D.E., Nachtigallova, D., Jordan, K.D., Lawson, J.M., & Paddon-Row, M.N. (1996). Electronically excited states of 1,4:5,8-bismethano-1,4,4a,5,8,8a-hexahydronaphthalene, a nonconjugated diene: Comparison of theory and experiment. Journal of the American Chemical Society, 118(6).
Nachtigall, P., Jordan, K.D., Smith, A., & Jonsson, H. (1996). Investigation of the reliability of density functional methods: Reaction and activation energies for Si-Si bond cleavage and H-2 elimination from silanes. JOURNAL OF CHEMICAL PHYSICS, 104(1), 148-158.AIP Publishing. doi: 10.1063/1.470885.
Nachtigallova, D., Love, D.E., & Jordan, K.D. (1996). Low-lying electronically excited states of CH3Cl: Comparison of theory and experiment. JOURNAL OF PHYSICAL CHEMISTRY, 100(14), 5642-5648.American Chemical Society (ACS). doi: 10.1021/jp953073r.
Pedulla, J.M., Vila, F., & Jordan, K.D. (1996). Binding energy of the ring form of (H2O)(6): Comparison of the predictions of conventional and localized-orbital MP2 calculations. JOURNAL OF CHEMICAL PHYSICS, 105(24), 11091-11099.AIP Publishing. doi: 10.1063/1.472910.
FORBES, M.D.E., RUBERU, S.R., NACHTIGALLOVA, D., JORDAN, K.D., & BARBORAK, J.C. (1995). SITE-SELECTIVE PHOTOCHEMISTRY IN AN ALTERNATING 2-NORBORNYL-CO COPOLYMER - IMPORTANCE OF STEREOELECTRONIC EFFECTS. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 117(14), 3946-3951.American Chemical Society (ACS). doi: 10.1021/ja00119a008.
KIM, K., & JORDAN, K.D. (1995). THEORETICAL CALCULATION OF THE HEIGHT OF THE BARRIER FOR OH ROTATION IN HYDROQUINONE. CHEMICAL PHYSICS LETTERS, 241(1-2), 39-44.Elsevier. doi: 10.1016/0009-2614(95)00606-5.
LOVE, D.E., & JORDAN, K.D. (1995). ELECTRON-IMPACT EXCITATION OF THE SINGLET AND TRIPLET B-1U PI-]PI(ASTERISK) STATES OF ETHYLENE NEAR-THRESHOLD. CHEMICAL PHYSICS LETTERS, 235(5-6), 479-483.Elsevier. doi: 10.1016/0009-2614(95)00149-X.
NACHTIGALL, P., & JORDAN, K.D. (1995). BARRIERS FOR HYDROGEN-ATOM DIFFUSION ON THE SI(100)-2X1 SURFACE. JOURNAL OF CHEMICAL PHYSICS, 102(20), 8249-8254.AIP Publishing. doi: 10.1063/1.468954.
NASH, J.J., ZWIER, T.S., & JORDAN, K.D. (1995). MODE-SELECTIVE PHOTOISOMERIZATION IN 5-HYDROXYTROPOLONE .2. THEORY. JOURNAL OF CHEMICAL PHYSICS, 102(13), 5260-5270.AIP Publishing. doi: 10.1063/1.469251.
PEARL, D.M., BURROW, P.D., NASH, J.J., MORRISON, H., NACHTIGALLOVA, D., & JORDAN, K.D. (1995). DISSOCIATIVE ATTACHMENT AS A PROBE OF THE DISTANCE DEPENDENCE OF INTRAMOLECULAR ELECTRON-TRANSFER. JOURNAL OF PHYSICAL CHEMISTRY, 99(33), 12379-12381.American Chemical Society (ACS). doi: 10.1021/j100033a003.
POST, A.J., NASH, J.J., LOVE, D.E., JORDAN, K.D., & MORRISON, H. (1995). PHOTOCHEMICAL ACTIVATION OF DISTAL FUNCTIONAL-GROUPS IN POLYFUNCTIONAL MOLECULES - PHOTOCHEMISTRY AND PHOTOPHYSICS OF THE SYN-7-CHLOROBENZONORBORNENES AND ANTI-7-CHLOROBENZONORBORNENES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 117(17), 4930-4935.American Chemical Society (ACS). doi: 10.1021/ja00122a025.
SMITH, A.P., WIGGS, J.K., JONSSON, H., YAN, H., CORRALES, L.R., NACHTIGALL, P., & JORDAN, K.D. (1995). SI ADATOM BINDING AND DIFFUSION ON THE SI(100) SURFACE - COMPARISON OF AB-INITIO, SEMIEMPIRICAL AND EMPIRICAL POTENTIAL RESULTS. JOURNAL OF CHEMICAL PHYSICS, 102(2), 1044-1056.AIP Publishing. doi: 10.1063/1.469453.
KIM, K., & JORDAN, K.D. (1994). COMPARISON OF DENSITY-FUNCTIONAL AND MP2 CALCULATIONS ON THE WATER MONOMER AND DIMER. JOURNAL OF PHYSICAL CHEMISTRY, 98(40), 10089-10094.American Chemical Society (ACS). doi: 10.1021/j100091a024.
KIM, K., JORDAN, K.D., & PADDONROW, M.N. (1994). LONG-RANGE INTERACTIONS IN A SERIES OF RIGID NONCONJUGATED POLYNORBORNYL DIENES .2. ROLE OF ELECTRON CORRELATION IN DETERMINING THE DISTANCE DEPENDENCE OF THE PI(+),PI(-) AND PI(+)ASTERISK,PI(-)ASTERISK SPLITTINGS. JOURNAL OF PHYSICAL CHEMISTRY, 98(43), 11053-11058.American Chemical Society (ACS). doi: 10.1021/j100094a012.
KIM, K., JORDAN, K.D., & ZWIER, T.S. (1994). LOW-ENERGY STRUCTURES AND VIBRATIONAL FREQUENCIES OF THE WATER HEXAMER - COMPARISON WITH BENZENE-(H2O)(6). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 116(25), 11568-11569.American Chemical Society (ACS). doi: 10.1021/ja00104a047.
KIM, K.S., & JORDAN, K.D. (1994). THEORETICAL CALCULATION OF THE HEIGHT OF THE BARRIER FOR OH ROTATION IN PHENOL. CHEMICAL PHYSICS LETTERS, 218(3), 261-269.Elsevier. doi: 10.1016/0009-2614(93)E1482-V.
NACHTIGALL, P., & JORDAN, K.D. (1994). TEMPERATURE-PROGRAMMED DESORPTION OF MOLECULAR-HYDROGEN FROM A SI(100)-2X1 SURFACE - THEORY AND EXPERIMENT - COMMENT. JOURNAL OF CHEMICAL PHYSICS, 101(3), 2648-2649.AIP Publishing. doi: 10.1063/1.467642.
NACHTIGALL, P., JORDAN, K.D., & SOSA, C. (1994). THEORETICAL-STUDY OF THE MECHANISM OF RECOMBINATIVE HYDROGEN DESORPTION FROM THE MONOHYDRIDE PHASE OF SI(100) - THE ROLE OF DEFECT MIGRATION. JOURNAL OF CHEMICAL PHYSICS, 101(9), 8073-8081.AIP Publishing. doi: 10.1063/1.468233.
SHEPHARD, M.J., PADDONROW, M.N., & JORDAN, K.D. (1994). WHY IS A SIMPLE N-ALKYL BRIDGE MORE EFFICIENT THAN A POLYNORBORNYL BRIDGE AT MEDIATING THROUGH-BOND COUPLING. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 116(12), 5328-5333.American Chemical Society (ACS). doi: 10.1021/ja00091a043.
NACHTIGALL, P., & JORDAN, K.D. (1993). THEORETICAL-STUDY OF THE LOW-LYING TRIPLET AND SINGLET-STATES OF TETRAMETHYLENEETHANE - PREDICTION OF A TRIPLET BELOW SINGLET-STATE AT THE TRIPLET EQUILIBRIUM GEOMETRY. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 115(1), 270-271.American Chemical Society (ACS). doi: 10.1021/ja00054a038.
NACHTIGALL, P., JORDAN, K.D., & SOSA, C. (1993). AB-INITIO CALCULATION OF THE ENERGY OF RECOMBINATIVE HYDROGEN DESORPTION FROM THE MONOHYDRIDE PHASE OF SI(100). JOURNAL OF PHYSICAL CHEMISTRY, 97(45), 11666-11672.American Chemical Society (ACS). doi: 10.1021/j100147a019.
NASH, J.J., CARLSON, D.V., KASPER, A.M., LOVE, D.E., JORDAN, K.D., & MORRISON, H. (1993). PI-ASTERISK SIGMA-ASTERISK ORBITAL MIXING - SYNTHESIS AND EXCITED-STATE STUDIES OF 7-CHLORO-2-(TRIMETHYLSILOXY)NORBORNENE AND 9-CHLORO-3-METHOXY-EXO-TRICYCLO[5.2.1.02,6]DEC-3-ENE. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 115(20), 8969-8979.American Chemical Society (ACS). doi: 10.1021/ja00073a011.
PADDONROW, M.N., & JORDAN, K.D. (1993). ANALYSIS OF THE DISTANCE DEPENDENCE AND MAGNITUDE OF THE PI+, PI- AND PI+ASTERISK, PI-ASTERISK SPLITTINGS IN A SERIES OF DIETHYNYL[N]STAFFANES - AN ABINITIO MOLECULAR-ORBITAL STUDY. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 115(7), 2952-2960.American Chemical Society (ACS). doi: 10.1021/ja00060a050.
PADDONROW, M.N., SHEPHARD, M.J., & JORDAN, K.D. (1993). A SIMPLE PROCEDURE FOR INVESTIGATING THE INFLUENCE OF A CHROMOPHORES ORBITAL ENERGIES ON ELECTRONIC COUPLING THROUGH SATURATED-HYDROCARBON BRIDGES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 115(8), 3312-3313.American Chemical Society (ACS). doi: 10.1021/ja00061a033.
PADDONROW, M.N., SHEPHARD, M.J., & JORDAN, K.D. (1993). PREDICTED WEAK DISTANCE DEPENDENCE OF THROUGH-BOND MEDIATED ELECTRONIC COUPLING IN N-ALKANE BRIDGES - AN ABINITIO MOLECULAR-ORBITAL STUDY. JOURNAL OF PHYSICAL CHEMISTRY, 97(9), 1743-1745.American Chemical Society (ACS). doi: 10.1021/j100111a006.
PEARL, D.M., BURROW, P.D., NASH, J.J., MORRISON, H., & JORDAN, K.D. (1993). DISSOCIATIVE ATTACHMENT AS A PROBE OF INTRAMOLECULAR ELECTRON-TRANSFER. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 115(21), 9876-9877.American Chemical Society (ACS). doi: 10.1021/ja00074a095.
SHEPHARD, M.J., PADDONROW, M.N., & JORDAN, K.D. (1993). ELECTRONIC COUPLING THROUGH SATURATED-HYDROCARBON BRIDGES. CHEMICAL PHYSICS, 176(2-3), 289-304.Elsevier. doi: 10.1016/0301-0104(93)80241-Z.
TSAI, C.J., & JORDAN, K.D. (1993). USE OF AN EIGENMODE METHOD TO LOCATE THE STATIONARY-POINTS ON THE POTENTIAL-ENERGY SURFACES OF SELECTED ARGON AND WATER CLUSTERS. JOURNAL OF PHYSICAL CHEMISTRY, 97(43), 11227-11237.American Chemical Society (ACS). doi: 10.1021/j100145a019.
TSAI, C.J., & JORDAN, K.D. (1993). USE OF THE HISTOGRAM AND JUMP-WALKING METHODS FOR OVERCOMING SLOW BARRIER CROSSING BEHAVIOR IN MONTE-CARLO SIMULATIONS - APPLICATIONS TO THE PHASE-TRANSITIONS IN THE (AR)13 AND (H2O)8 CLUSTERS. JOURNAL OF CHEMICAL PHYSICS, 99(9), 6957-6970.AIP Publishing. doi: 10.1063/1.465442.
TSAI, C.J., & JORDAN, K.D. (1993). THEORETICAL-STUDY OF SMALL WATER CLUSTERS - LOW-ENERGY FUSED CUBIC STRUCTURES FOR (H2O)N, N=8, 12, 16, AND 20. JOURNAL OF PHYSICAL CHEMISTRY, 97(20), 5208-5210.American Chemical Society (ACS). doi: 10.1021/j100122a005.
TSAI, C.J., & JORDAN, K.D. (1993). THEORETICAL-STUDY OF THE (H2O)6 CLUSTER. CHEMICAL PHYSICS LETTERS, 213(1-2), 181-188.Elsevier. doi: 10.1016/0009-2614(93)85438-T.
BURROW, P.D., HOWARD, A.E., JOHNSTON, A.R., & JORDAN, K.D. (1992). TEMPORARY ANION STATES OF HCN, CH3CN, CH2(CN)2, SELECTED CYANOETHYLENES, BENZONITRILE, AND TETRACYANOQUINODIMETHANE. JOURNAL OF PHYSICAL CHEMISTRY, 96(19), 7570-7578.American Chemical Society (ACS). doi: 10.1021/j100198a017.
JORDAN, K.D., & PADDONROW, M.N. (1992). ANALYSIS OF THE INTERACTIONS RESPONSIBLE FOR LONG-RANGE THROUGH-BOND-MEDIATED ELECTRONIC COUPLING BETWEEN REMOTE CHROMOPHORES ATTACHED TO RIGID POLYNORBORNYL BRIDGES. CHEMICAL REVIEWS, 92(3), 395-410.American Chemical Society (ACS). doi: 10.1021/cr00011a003.
JORDAN, K.D., & PADDONROW, M.N. (1992). LONG-RANGE INTERACTIONS IN A SERIES OF RIGID NONCONJUGATED DIENES .1. DISTANCE DEPENDENCE OF THE PI+,PI- AND PI+STAR,PI-STAR SPLITTINGS DETERMINED BY ABINITIO CALCULATIONS. JOURNAL OF PHYSICAL CHEMISTRY, 96(3), 1188-1196.American Chemical Society (ACS). doi: 10.1021/j100182a032.
NACHTIGALL, P., & JORDAN, K.D. (1992). THEORETICAL-STUDY OF THE LOW-LYING TRIPLET AND SINGLET-STATES OF DIRADICALS .1. TETRAMETHYLENEETHANE. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 114(12), 4743-4747.American Chemical Society (ACS). doi: 10.1021/ja00038a042.
NACHTIGALL, P., DOWD, P., & JORDAN, K.D. (1992). THEORETICAL-STUDY OF THE LOW-LYING TRIPLET AND SINGLET-STATES OF DIRADICALS .2. CYCLOPENTADIENYLTRIMETHYLENEMETHANE. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 114(12), 4747-4752.American Chemical Society (ACS). doi: 10.1021/ja00038a043.
NASH, J.J., DOWD, P., & JORDAN, K.D. (1992). THEORETICAL-STUDY OF THE LOW-LYING TRIPLET AND SINGLET-STATES OF DIRADICALS - PREDICTION OF GROUND-STATE MULTIPLICITIES IN CYCLIC ANALOGS OF TETRAMETHYLENEETHANE. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 114(25), 10071-10072.American Chemical Society (ACS). doi: 10.1021/ja00051a055.
FALCETTA, M.F., & JORDAN, K.D. (1991). ELECTRON-ENERGY LOSS STUDIES OF VIBRATIONAL AND ELECTRONIC EXCITATION PROCESSES IN 1,3-BUTADIENE - THE ROLE OF CORE-EXCITED ANION STATES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 113(20), 7455-7461.American Chemical Society (ACS). doi: 10.1021/ja00020a001.
FALCETTA, M.F., & JORDAN, K.D. (1991). STABILIZATION CALCULATIONS ON THE PI-STAR ANION STATES OF 1,4-CYCLOHEXADIENE - CONFIRMATION OF THE PI(-)-STAR BELOW PI(+)-STAR ORBITAL ORDERING. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 113(8), 2903-2909.American Chemical Society (ACS). doi: 10.1021/ja00008a018.
NACHTIGALL, P., JORDAN, K.D., & JANDA, K.C. (1991). CALCULATION OF THE SI-H BOND-ENERGIES FOR THE MONOHYDRIDE PHASE OF SI(100). JOURNAL OF CHEMICAL PHYSICS, 95(11), 8652-8654.AIP Publishing. doi: 10.1063/1.461245.
TSAI, C.J., & JORDAN, K.D. (1991). MONTE-CARLO SIMULATION OF (H2O)8 - EVIDENCE FOR A LOW-ENERGY S4 STRUCTURE AND CHARACTERIZATION OF THE SOLID REVERSIBLE LIQUID TRANSITION. JOURNAL OF CHEMICAL PHYSICS, 95(5), 3850-3853.AIP Publishing. doi: 10.1063/1.460788.
Chao, J.S.Y., Falcetta, M.F., & Jordan, K.D. (1990). Application of the stabilization method to the N−2(1 2Π g ) and Mg−(1 2 P ) temporary anion states. The Journal of Chemical Physics, 93(2), 1125-1135.AIP Publishing. doi: 10.1063/1.459176.
FALCETTA, M.F., & JORDAN, K.D. (1990). ASSIGNMENTS OF THE TEMPORARY ANION STATES OF THE CHLOROMETHANES. JOURNAL OF PHYSICAL CHEMISTRY, 94(15), 5666-5669.American Chemical Society (ACS). doi: 10.1021/j100378a012.
FALCETTA, M.F., JORDAN, K.D., MCMURRY, J.E., & PADDONROW, M.N. (1990). THROUGH-BOND AND THROUGH-SPACE INTERACTIONS IN A SERIES OF CYCLIC POLYENES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 112(2), 579-586.American Chemical Society (ACS). doi: 10.1021/ja00158a014.
JOHNSON, J.R., JORDAN, K.D., PLUSQUELLIC, D.F., & PRATT, D.W. (1990). HIGH-RESOLUTION S1[-S0 FLUORESCENCE EXCITATION-SPECTRA OF THE 1-HYDROXYNAPHTHALENE AND 2-HYDROXYNAPHTHALENE - DISTINGUISHING THE CIS AND TRANS ROTAMERS. JOURNAL OF CHEMICAL PHYSICS, 93(4), 2258-2273.AIP Publishing. doi: 10.1063/1.459059.
PADDONROW, M.N., WONG, S.S., & JORDAN, K.D. (1990). ABINITIO SCF-MO AND NATURAL BOND ORBITAL STUDIES OF 7-SILANORBORNADIENE AND 7,7-DIMETHYL-7-SILANORBORNADIENE - 2 MOLECULES POSSESSING AN INVERTED SEQUENCE OF PI-ORBITALS. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 112(5), 1710-1722.American Chemical Society (ACS). doi: 10.1021/ja00161a010.
PADDONROW, M.N., WONG, S.S., & JORDAN, K.D. (1990). AN ABINITIO SCF-MO STUDY OF THE ELECTRONIC-STRUCTURE OF 7-GERMANORBORNADIENE AND 7-STANNANORBORNADIENE - 2 MOLECULES PREDICTED TO HAVE AN INVERTED SEQUENCE OF PI-LEVELS. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 0(3), 417-423.Royal Society of Chemistry (RSC). doi: 10.1039/p29900000417.
PADDONROW, M.N., WONG, S.S., & JORDAN, K.D. (1990). A CAUTIONARY COMMENT ON THE USE OF ORTHOGONAL LOCALIZED MOLECULAR-ORBITALS FOR THE QUANTITATIVE-ANALYSIS OF THROUGH-SPACE AND THROUGH-BOND ORBITAL INTERACTIONS. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 0(3), 425-430.Royal Society of Chemistry (RSC). doi: 10.1039/p29900000425.
SUNIL, K.K., YATES, J.H., & JORDAN, K.D. (1990). THEORETICAL-STUDY OF THE ISOMERIZATION OF CYANOGEN. CHEMICAL PHYSICS LETTERS, 171(3), 185-190.Elsevier. doi: 10.1016/0009-2614(90)85224-Z.
CHOI, Y., & JORDAN, K.D. (1989). ELECTRON TRANSMISSION SPECTRA OF CARBONYL FLUORIDE - DETERMINATION OF THE VERTICAL ELECTRON-AFFINITY. CHEMICAL PHYSICS LETTERS, 156(5), 450-454.Elsevier. doi: 10.1016/S0009-2614(89)87310-5.
MAXWELL, B.D., NASH, J.J., MORRISON, H.A., FALCETTA, M.L., & JORDAN, K.D. (1989). PHOTOCHEMICAL ACTIVATION OF DISTAL FUNCTIONAL-GROUPS IN POLYFUNCTIONAL MOLECULES - ACTIVATION OF A BETA-CARBON CHLORINE BOND BY THE TRIMETHYLSILYL ENOL ETHER CHROMOPHORE VIA (PISTAR + SIGMASTAR) LUMO MIXING. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 111(20), 7914-7920.American Chemical Society (ACS). doi: 10.1021/ja00202a036.
SUNIL, K.K., & JORDAN, K.D. (1989). THEORETICAL-STUDY OF THE NACLNACL--REVERSIBLE-CLNANACL- INTERCONVERSION. CHEMICAL PHYSICS LETTERS, 164(5), 509-513.Elsevier. doi: 10.1016/0009-2614(89)85247-9.
AHERN, A.M., GARRELL, R.L., & JORDAN, K.D. (1988). THEORETICAL INVESTIGATION OF THE NORMAL-MODE VIBRATIONAL FREQUENCIES AND INTENSITIES OF ETHYLENE. JOURNAL OF PHYSICAL CHEMISTRY, 92(22), 6228-6232.American Chemical Society (ACS). doi: 10.1021/j100333a012.
BALAJI, V., & JORDAN, K.D. (1988). INTERACTIONS OF BE AND MG ATOMS WITH C2H2 AND C2H4. JOURNAL OF PHYSICAL CHEMISTRY, 92(11), 3101-3105.American Chemical Society (ACS). doi: 10.1021/j100322a019.
CHOI, Y.N., JORDAN, K.D., PAIK, Y.H., CHANG, W.G., & DOWD, P. (1988). ABINITIO CALCULATIONS OF THE GEOMETRIES AND IR-SPECTRA OF 2 DERIVATIVES OF TETRAMETHYLENEETHANE. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 110(22), 7575-7576.American Chemical Society (ACS). doi: 10.1021/ja00230a068.
PADDONROW, M.N., & JORDAN, K.D. (1988). AN ABINITIO MO STUDY OF 7-SILANORBORNADIENE AND 7,7-DIMETHYL-7-SILANORBORNADIENE - EXAMPLES OF NORBORNADIENES IN WHICH THE PI-ORBITALS INTERACT LARGELY THROUGH BONDS RATHER THAN THROUGH-SPACE. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 0(22), 1508-1510.Royal Society of Chemistry (RSC). doi: 10.1039/c39880001508.
SAKAI, S., GORDON, M.S., & JORDAN, K.D. (1988). POTENTIAL-ENERGY SURFACES FOR THE REACTION SI + H2O. JOURNAL OF PHYSICAL CHEMISTRY, 92(25), 7053-7057.American Chemical Society (ACS). doi: 10.1021/j100336a006.
SUNIL, K.K., & JORDAN, K.D. (1988). THEORETICAL-STUDY OF THE STRUCTURE AND STABILITY OF (NACL)2+. CHEMICAL PHYSICS LETTERS, 143(4), 366-370.Elsevier. doi: 10.1016/0009-2614(88)87048-9.
SUNIL, K.K., & JORDAN, K.D. (1988). THEORETICAL-STUDY OF THE DIPOLE-MOMENT, POLARIZABILITY, AND THEIR DERIVATIVES FOR THE CO MOLECULE. CHEMICAL PHYSICS LETTERS, 145(5), 377-381.Elsevier. doi: 10.1016/0009-2614(88)80194-5.
SUNIL, K.K., & JORDAN, K.D. (1988). DETERMINATION OF THE ENERGIES AND SPECTROSCOPIC CONSTANTS OF THE LOW-LYING ELECTRONIC STATES OF AL2, AL-2+, AND AL-2-. JOURNAL OF PHYSICAL CHEMISTRY, 92(10), 2774-2781.American Chemical Society (ACS). doi: 10.1021/j100321a017.
BALAJI, V., NG, L., JORDAN, K.D., PADDONROW, M.N., & PATNEY, H.K. (1987). A STUDY OF LONG-RANGE PI-STAR,PI-STAR INTERACTIONS IN RIGID MOLECULES USING ELECTRON TRANSMISSION SPECTROSCOPY. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 109(23), 6957-6969.American Chemical Society (ACS). doi: 10.1021/ja00257a010.
BALAJI, V., SUNIL, K.K., & JORDAN, K.D. (1987). THEORETICAL INVESTIGATION OF THE STRUCTURE AND STABILITY OF ALCO AND AL(CO)2 AND THEIR CATIONS. CHEMICAL PHYSICS LETTERS, 136(3-4), 309-313.Elsevier. doi: 10.1016/0009-2614(87)80257-9.
BURROW, P.D., MICHEJDA, J.A., & JORDAN, K.D. (1987). ELECTRON TRANSMISSION STUDY OF THE TEMPORARY NEGATIVE-ION STATES OF SELECTED BENZENOID AND CONJUGATED AROMATIC-HYDROCARBONS. JOURNAL OF CHEMICAL PHYSICS, 86(1), 9-24.AIP Publishing. doi: 10.1063/1.452598.
CHAO, J.S.Y., & JORDAN, K.D. (1987). USE OF THE X-ALPHA-METHOD FOR THE CHARACTERIZATION OF TEMPORARY NEGATIVE-IONS OF BENZENE AND SUBSTITUTED BENZENES. JOURNAL OF PHYSICAL CHEMISTRY, 91(22), 5578-5582.American Chemical Society (ACS). doi: 10.1021/j100306a017.
FLEISCHMAN, S.H., & JORDAN, K.D. (1987). THEORETICAL-STUDY OF THE STRUCTURES AND STABILITIES OF THE (CO2)2- IONS. JOURNAL OF PHYSICAL CHEMISTRY, 91(6), 1300-1302.American Chemical Society (ACS). doi: 10.1021/j100290a006.
JORDAN, K.D., & BURROW, P.D. (1987). TEMPORARY ANION STATES OF POLYATOMIC HYDROCARBONS. CHEMICAL REVIEWS, 87(3), 557-588.American Chemical Society (ACS). doi: 10.1021/cr00079a005.
KRISHNA, M.V.R., & JORDAN, K.D. (1987). AN EXTENDED-VALENCE MC SCF PROCEDURE - DETERMINATION OF THE DISSOCIATION-ENERGIES OF C-2, N-2, O-2, AND F2. CHEMICAL PHYSICS, 115(3), 405-421.Elsevier. doi: 10.1016/0301-0104(87)80053-8.
KRISHNA, M.V.R., & JORDAN, K.D. (1987). THEORETICAL-STUDY OF THE ENERGETICS OF THE O-3(X1A1)-]O-2(X3-SIGMA-G-)+O(3P) DISSOCIATION PROCESS. CHEMICAL PHYSICS, 115(3), 423-432.Elsevier. doi: 10.1016/0301-0104(87)80054-x.
SIMONS, J., & JORDAN, K.D. (1987). ABINITIO ELECTRONIC-STRUCTURE OF ANIONS. CHEMICAL REVIEWS, 87(3), 535-555.American Chemical Society (ACS). doi: 10.1021/cr00079a004.
SPERLEIN, R.F., GOLDE, M.F., & JORDAN, K.D. (1987). ABINITIO STUDY OF ELECTRONIC-ENERGY TRANSFER IN THE QUENCHING OF CO-STAR(A3-PI) BY H-2. CHEMICAL PHYSICS LETTERS, 142(5), 359-365.Elsevier. doi: 10.1016/0009-2614(87)85123-0.
SUNIL, K.K., & JORDAN, K.D. (1987). NEGATIVE-ION FORMATION IN ALKALI-HALIDE CLUSTERS. JOURNAL OF PHYSICAL CHEMISTRY, 91(7), 1710-1711.American Chemical Society (ACS). doi: 10.1021/j100291a008.
BURROW, P.D., MODELLI, A., & JORDAN, K.D. (1986). TEMPORARY ANION STATES OF THE CHLOROBENZENES. CHEMICAL PHYSICS LETTERS, 132(4-5), 441-447.Elsevier. doi: 10.1016/0009-2614(86)80642-X.
KHAN, A., & JORDAN, K.D. (1986). THEORETICAL POTENTIAL-ENERGY CURVES AND SPECTROSCOPIC PROPERTIES OF THE X-2-SIGMA-U+ AND A-2-SIGMA-G+ STATES OF HE-2+. CHEMICAL PHYSICS LETTERS, 128(4), 368-371.Elsevier. doi: 10.1016/0009-2614(86)80379-7.
Morrison, H., Singh, T.V., De Cardenas, L., Severance, D., Jordan, K., & Schaefer, W. (1986). (.pi.* + .sigma.*) Molecular orbital mixing in .beta.-chloro ketones and .beta.-chloro olefins. Journal of the American Chemical Society, 108(13), 3862-3863.American Chemical Society (ACS). doi: 10.1021/ja00273a069.
SAKAI, S., & JORDAN, K.D. (1986). STRUCTURES AND VIBRATIONAL FREQUENCIES OF HBEOH, HBOH, HMGOH, HALOH, AND HSIOH. CHEMICAL PHYSICS LETTERS, 130(1-2), 103-110.Elsevier. doi: 10.1016/0009-2614(86)80434-1.
SUNIL, K.K., & JORDAN, K.D. (1986). ON THE SIZE OF THE 4S ORBITAL OF THE COPPER ATOM. CHEMICAL PHYSICS LETTERS, 128(4), 363-367.Elsevier. doi: 10.1016/0009-2614(86)80378-5.
BALAJI, V., & JORDAN, K.D. (1985). ELECTRON TRANSMISSION SPECTROSCOPY OF TRIPTYCENE - AN INVESTIGATION OF THE INTRAMOLECULAR ORBITAL INTERACTIONS. CHEMICAL PHYSICS LETTERS, 119(4), 294-297.Elsevier. doi: 10.1016/0009-2614(85)80420-6.
BALAJI, V., JORDAN, K.D., GLEITER, R., JAHNE, G., & MULLER, G. (1985). THROUGH-BOND INTERACTIONS IN NONCONJUGATED DIENES AND DIONES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 107(25), 7321-7323.American Chemical Society (ACS). doi: 10.1021/ja00311a018.
BURROW, P.D., MODELLI, A., GUERRA, M., & JORDAN, K.D. (1985). ELECTRON TRANSMISSION SPECTROSCOPY OF DIBENZENE CHROMIUM - CHARACTERIZATION OF THE UNFILLED MOLECULAR-ORBITALS. CHEMICAL PHYSICS LETTERS, 118(3), 328-333.Elsevier. doi: 10.1016/0009-2614(85)85325-2.
HOUK, K.N., SCOTT, L.T., RONDAN, N.G., SPELLMEYER, D.C., REINHARDT, G., HYUN, J.L., DECICCO, G.J., WEISS, R., CHEN, M.H.M., BASS, L.S., CLARDY, J., JORGENSEN, F.S., EATON, T.A., SARKOZI, V., PETIT, C.M., NG, L., & JORDAN, K.D. (1985). CYCLYNES .5. PERICYCLYNES - EXPLODED CYCLOALKANES WITH UNUSUAL ORBITAL INTERACTIONS AND CONFORMATIONAL PROPERTIES - MM2 AND STO-3G CALCULATIONS, X-RAY CRYSTAL-STRUCTURES, PHOTOELECTRON-SPECTRA, AND ELECTRON TRANSMISSION SPECTRA. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 107(23), 6556-6562.American Chemical Society (ACS). doi: 10.1021/ja00309a022.
Jordan, K.D. (1985). THEORETICAL STUDIES OF THE REACTIONS OF ATOMS WITH SMALL MOLECULES. 239-252.
RAGHAVACHARI, K., SUNIL, K.K., & JORDAN, K.D. (1985). THEORETICAL-STUDY OF THE BONDING IN CUH AND CU2. JOURNAL OF CHEMICAL PHYSICS, 83(9), 4633-4640.AIP Publishing. doi: 10.1063/1.449034.
SUNIL, K.K., & JORDAN, K.D. (1985). THEORETICAL INVESTIGATION OF THE LOW-LYING ELECTRONIC STATES OF CU, ZN, AND THEIR IONS. JOURNAL OF CHEMICAL PHYSICS, 82(2), 873-880.AIP Publishing. doi: 10.1063/1.448515.
SUNIL, K.K., JORDAN, K.D., & RAGHAVACHARI, K. (1985). THE IMPORTANCE OF F-FUNCTIONS AND 3D ELECTRON CORRELATION-EFFECTS IN THE BONDING IN CU2. JOURNAL OF PHYSICAL CHEMISTRY, 89(3), 457-459.American Chemical Society (ACS). doi: 10.1021/j100249a017.
GREGORY, A.R., SUNIL, K.K., & JORDAN, K.D. (1984). THEORETICAL-STUDY OF THE 1 2A''(X2-PI) STATE OF N2O+ - IMPLICATIONS FOR ISOTOPIC SCRAMBLING. CHEMICAL PHYSICS LETTERS, 108(5), 439-442.Elsevier. doi: 10.1016/0009-2614(84)85175-1.
JORDAN, K.D. (1984). THEORETICAL INVESTIGATION OF LITHIUM AND SODIUM COMPLEXES WITH CO2. JOURNAL OF PHYSICAL CHEMISTRY, 88(12), 2459-2465.American Chemical Society (ACS). doi: 10.1021/j150656a009.
SUNIL, K.K., & JORDAN, K.D. (1984). THEORETICAL-STUDY OF THE 2-SIGMA-MU+ AND 2-SIGMA-G+ STATES OF LI-2- AND NA-2-. CHEMICAL PHYSICS LETTERS, 104(4), 343-347.Elsevier. doi: 10.1016/0009-2614(84)80076-7.
SUNIL, K.K., JORDAN, K.D., & SHEPARD, R. (1984). APPLICATION OF THE MC SCF METHOD TO THE PI-]PI-STAR EXCITATION-ENERGIES OF ETHYLENE. CHEMICAL PHYSICS, 88(1), 55-64.Elsevier. doi: 10.1016/0301-0104(84)85103-4.
SUNIL, K.K., ORENDT, A., JORDAN, K.D., & DEFREES, D. (1984). THEORETICAL-STUDY OF THE VERTICAL ELECTRON-AFFINITY AND IONIZATION-POTENTIALS OF C-3. CHEMICAL PHYSICS, 89(2), 245-256.Elsevier. doi: 10.1016/0301-0104(84)85313-6.
Blickensderfer, R.P., Sunil, K.K., & Jordan, K.D. (1983). Attractive nature of excited argon(3P) + molecular hydrogen interaction and the excited argon(3P0.2) + molecular hydrogen .fwdarw. argon(1S) + atomic hydrogen + atomic hydrogen process. The Journal of Physical Chemistry, 87(9), 1488-1490.American Chemical Society (ACS). doi: 10.1021/j100232a007.
HOUK, K.N., RONDAN, N.G., PADDONROW, M.N., JEFFORD, C.W., HUY, P.T., BURROW, P.D., & JORDAN, K.D. (1983). IONIZATION-POTENTIALS, ELECTRON-AFFINITIES, AND MOLECULAR-ORBITALS OF 2-SUBSTITUTED NORBORNADIENES - THEORY OF 1,2 AND HOMO-1,4 CARBENE CYCLOADDITION SELECTIVITIES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 105(17), 5563-5569.American Chemical Society (ACS). doi: 10.1021/ja00355a006.
NG, L., BALAJI, V., & JORDAN, K.D. (1983). MEASUREMENT OF THE VERTICAL ELECTRON-AFFINITIES OF CYANOGEN AND 2,4-HEXADIYNE. CHEMICAL PHYSICS LETTERS, 101(2), 171-176.Elsevier. doi: 10.1016/0009-2614(83)87365-5.
Sakai, S., & Jordan, K.D. (1983). Comment on the boron(2P) + water .fwdarw. boron monoxide (BO)(X2.SIGMA.,A2.PI.) + molecular hydrogen(X1.SIGMA.g) reaction. The Journal of Physical Chemistry, 87(13), 2293-2295.American Chemical Society (ACS). doi: 10.1021/j100236a011.
Sunil, K.K., Lin, J., Siddiqui, H., Siska, P.E., Jordan, K.D., & Shepard, R. (1983). Theoretical investigation of the a 3Σ+ u , A 1Σ+ u , c 3Σ+ g , and C 1Σ+ g potential energy curves of He2 and of He*(2 1 S , 2 3 S )+He scattering. The Journal of Chemical Physics, 78(10), 6190-6202.AIP Publishing. doi: 10.1063/1.444583.
BALAJI, V., JORDAN, K.D., BURROW, P.D., PADDONROW, M.N., & PATNEY, H.K. (1982). EXPERIMENTAL-OBSERVATIONS OF LARGE INTERACTIONS OF PISTAR-ORBITALS THROUGH 4 BONDS. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 104(24), 6849-6851.American Chemical Society (ACS). doi: 10.1021/ja00388a094.
Blickensderfer, R.P., Jordan, K.D., Adams, N., & Breckenridge, W.H. (1982). Complexes of beryllium(2s2p 3P,1P) and magnesium(3s3p 3P,1P) with molecular hydrogen. Implications for the magnesium(1P) + molecular hydrogen .fwdarw. magnesium hydride(2.SIGMA.) + atomic hydrogen(2S) reaction. The Journal of Physical Chemistry, 86(11), 1930-1932.American Chemical Society (ACS). doi: 10.1021/j100208a004.
BURROW, P.D., & JORDAN, K.D. (1982). ELECTRON TRANSMISSION SPECTROSCOPY OF 1,3,5-HEXATRIENE - ISOMERIC DIFFERENCES IN PI-STAR ORBITAL ENERGIES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 104(19), 5247-5248.American Chemical Society (ACS). doi: 10.1021/ja00383a051.
BURROW, P.D., ASHE, A.J., BELLVILLE, D.J., & JORDAN, K.D. (1982). TEMPORARY ANION STATES OF PHOSPHABENZENE, ARSABENZENE, AND STIBABENZENE - TRENDS IN THE PI AND PI-STAR ORBITAL ENERGIES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 104(2), 425-429.American Chemical Society (ACS). doi: 10.1021/ja00366a009.
Burrow, P.D., Modelli, A., Chiu, N.S., & Jordan, K.D. (1982). Temporary negative ions in the chloromethanes CHCl2F and CCl2F2: Characterization of the σ* orbitals. The Journal of Chemical Physics, 77(5), 2699-2701.AIP Publishing. doi: 10.1063/1.444103.
JORDAN, K.D., & KURTZ, H.A. (1982). THEORY OF METAL ATOM-WATER INTERACTIONS AND ALKALI-HALIDE DIMERS. ACS SYMPOSIUM SERIES, 179, 377-393.
Jordan, K.D., & Simons, J. (1982). On the lowest sigma and pi anion states of Be2 and Be3. The Journal of Chemical Physics, 77(10), 5250-5252.AIP Publishing. doi: 10.1063/1.443669.
KREBS, A., RUGER, W., NG, L., & JORDAN, K.D. (1982). ELECTRON TRANSMISSION STUDY OF THE SPLITTING OF THE PI MO OF ANGLE-STRAINED CYCLIC ACETYLENES - IMPLICATIONS FOR THE ELECTROPHILICITY OF ALKYNES. BULLETIN DES SOCIETES CHIMIQUES BELGES, 91(5), 363.Wiley. doi: 10.1002/bscb.19820910522.
NG, L., JORDAN, K.D., KREBS, A., & RUGER, W. (1982). ELECTRON TRANSMISSION STUDY OF THE SPLITTING OF THE PI-STAR MOLECULAR-ORBITALS OF ANGLE-STRAINED CYCLIC ACETYLENES - IMPLICATIONS FOR THE ELECTROPHILICITY OF ALKYNES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 104(26), 7414-7416.American Chemical Society (ACS). doi: 10.1021/ja00390a005.
PADDONROW, M.N., RONDAN, N.G., HOUK, K.N., & JORDAN, K.D. (1982). GEOMETRIES OF THE RADICAL-ANIONS OF ETHYLENE, FLUOROETHYLENE, 1,1-DIFLUOROETHYLENE, AND TETRAFLUOROETHYLENE. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 104(4), 1143-1145.American Chemical Society (ACS). doi: 10.1021/ja00368a060.
SAKAI, S., & JORDAN, K.D. (1982). ABINITIO STUDY OF THE STRUCTURE AND VIBRATIONAL FREQUENCIES OF THE GRIGNARD-REAGENT CH3MGCL. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 104(14), 4019-4021.American Chemical Society (ACS). doi: 10.1021/ja00378a047.
BURROW, P.D., MODELLI, A., CHIU, N.S., & JORDAN, K.D. (1981). TEMPORARY SIGMA-ANIONS AND PI-ANIONS OF THE CHLOROETHYLENES AND CHLOROFLUOROETHYLENES. CHEMICAL PHYSICS LETTERS, 82(2), 270-276.Elsevier. doi: 10.1016/0009-2614(81)85154-8.
CHILES, R.A., DYKSTRA, C.E., & JORDAN, K.D. (1981). BONDING IN THE MG4 CLUSTER - AN EXAMPLE OF CHEMICAL BONDING ORIGINATING FROM ELECTRON CORRELATION-EFFECTS. JOURNAL OF CHEMICAL PHYSICS, 75(2), 1044-1046.AIP Publishing. doi: 10.1063/1.442054.
JORDAN, K.D. (1981). RECENT DEVELOPMENTS IN ELECTRON-MOLECULE SCATTERING. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 20(S15), 331-340.Wiley. doi: 10.1002/qua.560200835.
KURTZ, H.A., & JORDAN, K.D. (1981). PROPERTIES OF THE X-1-SIGMA STATE OF BF. CHEMICAL PHYSICS LETTERS, 81(1), 104-109.Elsevier. doi: 10.1016/0009-2614(81)85336-5.
KURTZ, H.A., & JORDAN, K.D. (1981). THEORETICAL-STUDY OF LOW-ENERGY ELECTRON AND POSITRON SCATTERING ON BE, MG AND CA. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(22), 4361-4376.IOP Publishing. doi: 10.1088/0022-3700/14/22/019.
KURTZ, H.A., & JORDAN, K.D. (1981). THEORETICAL-STUDIES OF POSITRON-MOLECULE COMPLEXES. JOURNAL OF CHEMICAL PHYSICS, 75(4), 1876-1887.AIP Publishing. doi: 10.1063/1.442211.
YOSHIOKA, Y., & JORDAN, K.D. (1981). STABILITIES AND STRUCTURES OF THE LI-CO2 AND NA-CO2 COMPLEXES. CHEMICAL PHYSICS LETTERS, 84(2), 370-374.Elsevier. doi: 10.1016/0009-2614(81)80366-1.
YOSHIOKA, Y., & JORDAN, K.D. (1981). POLARIZABILITIES, DIPOLE-MOMENTS AND ELECTRON-AFFINITIES OF LIF AND BEO. CHEMICAL PHYSICS, 56(3), 303-320.Elsevier. doi: 10.1016/0301-0104(81)80152-8.
YOSHIOKA, Y., SCHAEFER, H.F., & JORDAN, K.D. (1981). THEORETICAL INVESTIGATION OF THE ELECTRON-AFFINITY OF CO2. JOURNAL OF CHEMICAL PHYSICS, 75(2), 1040-1041.AIP Publishing. doi: 10.1063/1.442071.
JORDAN, K.D. (1980). ABINITIO GROUND-STATE POTENTIAL-ENERGY SURFACES FOR ANIONS OF POLAR-MOLECULES - COMMENT. CHEMICAL PHYSICS LETTERS, 69(3), 611-613.Elsevier. doi: 10.1016/0009-2614(80)85140-2.
JORDAN, K.D., & BURROW, P.D. (1980). TEMPORARY NEGATIVE-IONS OF METHYL-SUBSTITUTED ETHYLENES - TRENDS IN THE ELECTRON-AFFINITIES, IONIZATION-POTENTIALS, AND EXCITATION-ENERGIES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 102(22), 6882-6883.American Chemical Society (ACS). doi: 10.1021/ja00542a053.
JORDAN, K.D., & BURROW, P.D. (1980). RELATIONSHIP BETWEEN THE GAS-PHASE, CONDENSED PHASE AND THEORETICAL SPECTRA OF ALTERNANT HYDROCARBON ANIONS. CHEMICAL PHYSICS, 45(2), 171-182.Elsevier. doi: 10.1016/0301-0104(80)85064-6.
JORDAN, K.D., & SIMONS, J. (1980). COMMENT ON THE ELECTRONIC-STRUCTURE OF SMALL BERYLLIUM AND MAGNESIUM CLUSTERS AND THEIR ANIONS. JOURNAL OF CHEMICAL PHYSICS, 72(4), 2889-2890.AIP Publishing. doi: 10.1063/1.439396.
KURTZ, H.A., & JORDAN, K.D. (1980). COMMENT ON THE ELECTRONIC-STRUCTURE OF HAIOH AND H2O.AL. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 102(3), 1177-1178.American Chemical Society (ACS). doi: 10.1021/ja00523a052.
KURTZ, H.A., & JORDAN, K.D. (1980). THEORETICAL-STUDIES OF POSITRON COMPLEXES WITH ATOMIC ANIONS. JOURNAL OF CHEMICAL PHYSICS, 72(1), 493-503.AIP Publishing. doi: 10.1063/1.438933.
YOSHIOKA, Y., & JORDAN, K.D. (1980). MANY-BODY PERTURBATION THEORETICAL-STUDIES OF THE DIPOLE-MOMENTS, POLARIZABILITIES, AND ELECTRON-AFFINITIES OF LIF AND BEO. JOURNAL OF CHEMICAL PHYSICS, 73(11), 5899-5901.AIP Publishing. doi: 10.1063/1.440035.
YOSHIOKA, Y., & JORDAN, K.D. (1980). ABINITIO STUDY OF (NO2)2+ AND (CO2)2-. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 102(8), 2621-2626.American Chemical Society (ACS). doi: 10.1021/ja00528a017.
BLICKENSDERFER, R.P., & JORDAN, K.D. (1979). ABINITIO STUDIES OF THE ELECTRONIC-STRUCTURE OF LIOH- AND LI2O-. CHEMICAL PHYSICS, 41(1-2), 193-199.Elsevier. doi: 10.1016/0301-0104(79)80143-3.
CHIU, N.S., BURROW, P.D., & JORDAN, K.D. (1979). TEMPORARY ANIONS OF THE FLUOROETHYLENES. CHEMICAL PHYSICS LETTERS, 68(1), 121-126.Elsevier. doi: 10.1016/0009-2614(79)80082-2.
Compton, R.N., Yoshioka, Y., & Jordan, K.D. (1979). Comment on semiemperical calculations of πelectron affinities. Theoretical Chemistry Accounts, 54(3), 259-260.Springer Nature. doi: 10.1007/bf00578345.
JORDAN, K.D. (1979). NEGATIVE-ION STATES OF POLAR-MOLECULES. ACCOUNTS OF CHEMICAL RESEARCH, 12(1), 36-42.American Chemical Society (ACS). doi: 10.1021/ar50133a006.
Jordan, K.D., & Burrow, P.D. (1979). Comment on the negative ion states of fluorobenzenes. The Journal of Chemical Physics, 71(12), 5384-5385.AIP Publishing. doi: 10.1063/1.438324.
JORDAN, K.D., & LIEBMAN, J.F. (1979). BINDING OF AN ELECTRON TO A MOLECULAR QUADRUPOLE - (BEO)-2. CHEMICAL PHYSICS LETTERS, 62(1), 143-147.Elsevier. doi: 10.1016/0009-2614(79)80430-3.
KURTZ, H.A., & JORDAN, K.D. (1979). COMPARISON OF THE POSITRON ENERGY-LEVELS OF [F--E+] AND [CN--E+] WITH THE RYDBERG LEVELS OF NA AND NO. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 12(15), L473-L477.IOP Publishing. doi: 10.1088/0022-3700/12/15/007.
Rossi, A.R., & Jordan, K.D. (1979). Comment on the structure and stability of (CO2)−2. The Journal of Chemical Physics, 70(9), 4422-4424.AIP Publishing. doi: 10.1063/1.438018.
SEIDERS, B.A.B., LUKEN, W.L., BLICKENSDERFER, R.P., & JORDAN, K.D. (1979). THEORETICAL-STUDY OF THE ANIONS OF BEF2 AND MGF2. CHEMICAL PHYSICS, 39(3), 285-292.Elsevier. doi: 10.1016/0301-0104(79)80149-4.
JORDAN, K.D., & BURROW, P.D. (1978). STUDIES OF TEMPORARY ANION STATES OF UNSATURATED-HYDROCARBONS BY ELECTRON TRANSMISSION SPECTROSCOPY. ACCOUNTS OF CHEMICAL RESEARCH, 11(9), 341-348.American Chemical Society (ACS). doi: 10.1021/ar50129a004.
JORDAN, K.D., & SEEGER, R. (1978). ABINITIO STUDY OF GROUND-STATE ANIONS OF LIF, NAF, BEO AND MGO. CHEMICAL PHYSICS LETTERS, 54(2), 320-326.Elsevier. doi: 10.1016/0009-2614(78)80110-9.
Jordan, K.D., & Simons, J. (1978). Erratum: Electronic structure of small metal clusters. I. Anions of Be2, Be3, and Be4. The Journal of Chemical Physics, 69(3), 1324.AIP Publishing. doi: 10.1063/1.436653.
JORDAN, K.D., & WENDOLOSKI, J.J. (1978). STUDIES OF NEGATIVE-IONS OF POLAR-MOLECULES LIH-, NAH-, NACL-. MOLECULAR PHYSICS, 35(1), 223-240.Taylor & Francis. doi: 10.1080/00268977800100171.
Kurtz, H.A., & Jordan, K.D. (1978). Ab initio study of the positron affinity of LiH. Journal of Physics B Atomic Molecular and Optical Physics, 11(16), l479.IOP Publishing. doi: 10.1088/0022-3700/11/16/001.
KURTZ, H.A., & JORDAN, K.D. (1978). THEORETICAL-STUDY OF [F--E+] AND [CN--E+]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 14(6), 747-755.Wiley. doi: 10.1002/qua.560140607.
SEIDERS, B.A.B., LUKEN, W.L., & JORDAN, K.D. (1978). BINDING OF AN ELECTRON TO A MOLECULAR DIPOLE - BEF2-. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 14(6), 741-746.Wiley. doi: 10.1002/qua.560140606.
Shepard, R., Jordan, K.D., & Simons, J. (1978). Electronic structure of small metal clusters. II. Anions of Li2, LiNa, and Na2. The Journal of Chemical Physics, 69(4), 1788-1789.AIP Publishing. doi: 10.1063/1.436718.
JORDAN, K.D. (1977). CORRELATION BETWEEN MOLECULAR ELECTRON-AFFINITIES AND DIPOLE-MOMENTS .2. JOURNAL OF CHEMICAL PHYSICS, 66(7), 3305-3306.AIP Publishing. doi: 10.1063/1.434309.
Jordan, K.D., & Simons, J. (1977). Electronic structure of small metal clusters. I. Anions of Be2, Be3, and Be4. The Journal of Chemical Physics, 67(9), 4027-4037.AIP Publishing. doi: 10.1063/1.435431.
JORDAN, K.D., & WENDOLOSKI, J.J. (1977). EXISTENCE OF NEGATIVE-IONS OF NONIONIC POLAR-MOLECULES - STUDIES OF HF-, H2O-, HCN-, (HF)-2, H3NO- AND CH3CN-. CHEMICAL PHYSICS, 21(2), 145-154.Elsevier. doi: 10.1016/0301-0104(77)80009-8.
BURROW, P.D., MICHEJDA, J.A., & JORDAN, K.D. (1976). EXPERIMENTAL-STUDY OF NEGATIVE-ION STATES OF STYRENE - TEST OF PAIRING THEOREM. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 98(20), 6392-6393.American Chemical Society (ACS). doi: 10.1021/ja00436a059.
CHEN, T.T., SIMONS, J., & JORDAN, K.D. (1976). ANALYSIS OF EQUATION-OF-MOTION THEORY OF ELECTRON-AFFINITIES AND IONIZATION-POTENTIALS. CHEMICAL PHYSICS, 14(1), 145-158.Elsevier. doi: 10.1016/0301-0104(76)80033-X.
Dixon, D.A., Gole, J.L., & Jordan, K.D. (1976). Ab initio study of the electronic structure of Li
JORDAN, K.D. (1976). CORRELATION BETWEEN MOLECULAR ELECTRON-AFFINITIES AND DIPOLE-MOMENTS. JOURNAL OF CHEMICAL PHYSICS, 65(3), 1214-1215.AIP Publishing. doi: 10.1063/1.433145.
JORDAN, K.D. (1976). STRUCTURE OF LIH DIMER AND ITS NEGATIVE-ION. CHEMICAL PHYSICS LETTERS, 40(3), 441-446.Elsevier. doi: 10.1016/0009-2614(76)85115-9.
JORDAN, K.D., & LUKEN, W. (1976). THEORETICAL-STUDY OF BINDING OF AN ELECTRON TO A MOLECULAR DIPOLE - LICL. JOURNAL OF CHEMICAL PHYSICS, 64(7), 2760-2766.AIP Publishing. doi: 10.1063/1.432599.
Jordan, K.D., & Simons, J. (1976). Theoretical studies of molecular ions: Be−2. The Journal of Chemical Physics, 65(4), 1601-1602.AIP Publishing. doi: 10.1063/1.433223.
Jordan, K.D., Griffing, K.M., Kenney, J., Andersen, E.L., & Simons, J. (1976). Theoretical study of stable negative ions of polar molecules: NaH−, LiH−, LiF−, BeO−. The Journal of Chemical Physics, 64(11), 4730-4740.AIP Publishing. doi: 10.1063/1.432059.
JORDAN, K.D., MICHEJDA, J.A., & BURROW, P.D. (1976). ELECTRON TRANSMISSION STUDIES OF NEGATIVE-ION STATES OF SUBSTITUTED BENZENES IN GAS-PHASE. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 98(23), 7189-7191.American Chemical Society (ACS). doi: 10.1021/ja00439a014.
JORDAN, K.D., MICHEJDA, J.A., & BURROW, P.D. (1976). STUDY OF NEGATIVE-ION STATES OF SELECTED CYCLODIENES BY ELECTRON TRANSMISSION SPECTROSCOPY. CHEMICAL PHYSICS LETTERS, 42(2), 227-231.Elsevier. doi: 10.1016/0009-2614(76)80352-1.
JORDAN, K.D., MICHEJDA, J.A., & BURROW, P.D. (1976). RELATIVE STABILITY OF ALKYL-SUBSTITUTED BENZENE ANIONS IN GAS-PHASE. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 98(5), 1295-1296.American Chemical Society (ACS). doi: 10.1021/ja00421a058.
BURROW, P.D., & JORDAN, K.D. (1975). ELECTRON AFFINITIES OF ETHYLENE AND 1,3-BUTADIENE. CHEMICAL PHYSICS LETTERS, 36(5), 594-598.Elsevier. doi: 10.1016/0009-2614(75)85346-2.
GELB, A., JORDAN, K.D., & SILBEY, R. (1975). ELECTRONIC-STRUCTURE OF SMALL CLUSTERS OF SODIUM. CHEMICAL PHYSICS, 9(1-2), 175-182.Elsevier. doi: 10.1016/0301-0104(75)80127-3.
Griffing, K.M., Kenney, J., Simons, J., & Jordan, K.D. (1975). Theoretical predictions of stable negative ions: HF−, LiH−, NaH−. The Journal of Chemical Physics, 63(9), 4073-4075.AIP Publishing. doi: 10.1063/1.431850.
Jordan, K.D. (1975). Applications of analytic continuation in the construction of potential energy curves. International Journal of Quantum Chemistry, 9(S9), 325-336.Wiley. doi: 10.1002/qua.560090841.
Jordan, K.D. (1975). Padé approximants: An alternative analytic representation of the potential curves for diatomic molecules. Journal of Molecular Spectroscopy, 56(2), 329-331.Elsevier. doi: 10.1016/0022-2852(75)90243-x.
JORDAN, K.D. (1975). INCLUSION OF DOUBLY EXCITED CONFIGURATIONS IN ELECTRON PROPAGATORS. CHEMICAL PHYSICS LETTERS, 36(2), 264-270.Elsevier. doi: 10.1016/0009-2614(75)87030-8.
JORDAN, K.D. (1975). CONSTRUCTION OF POTENTIAL-ENERGY CURVES IN AVOIDED CROSSING SITUATIONS. CHEMICAL PHYSICS, 9(1-2), 199-204.Elsevier. doi: 10.1016/0301-0104(75)80130-3.
JORDAN, K.D. (1975). CONTINUED FRACTION REPRESENTATIONS OF DIPOLE-MOMENT FUNCTION AND ELECTRONIC-TRANSITION MOMENT FUNCTION OF DIATOMIC-MOLECULES. CHEMICAL PHYSICS LETTERS, 33(2), 340-343.Elsevier. doi: 10.1016/0009-2614(75)80171-0.
Dancz, J., & Jordan, K.D. (1974). Multiple projections of unrestricted Hartree-Fock solutions in acetylene. The Journal of Chemical Physics, 61(7), 2977-2978.AIP Publishing. doi: 10.1063/1.1682442.
Jordan, K.D., Kinsey, J.L., & Silbey, R. (1974). Use of Pade approximants in the construction of diabatic potential energy curves for ionic molecules. The Journal of Chemical Physics, 61(3), 911-917.AIP Publishing. doi: 10.1063/1.1682034.
Jordan, K.D. (1973). Use of unrestricted hartree‐fock wave functions in RPA calculations. International Journal of Quantum Chemistry, 7(S7), 491-504.Wiley. doi: 10.1002/qua.560070756.
Jordan, K.D., & Silbey, R. (1973). Comments on the use of unrestricted hartree—fock theory in orbital energy crossing. Chemical Physics Letters, 18(1), 27-30.Elsevier. doi: 10.1016/0009-2614(73)80330-6.
Schofield, D.P., & Jordan, K.D. (2012). Determination of conformational preferences in biomolecule mimics with localized orbital coupled cluster methods. In AIP Conference Proceedings, 1504(1), (pp. 957-960).AIP Publishing. doi: 10.1063/1.4771855.
Onda, K., Li, B., Zhao, J., Jordan, K.D., Yang, J., & Petek, H. (2005). Ultrafast photo-induced dynamics at H/sub 2/O/TiO/sub 2/[110] and CH/sub 3/OH/TiO/sub 2/[110] interfaces. In International Quantum Electronics Conference, 2005., 2005, (pp. 222-223).Institute of Electrical and Electronics Engineers (IEEE). doi: 10.1109/iqec.2005.1560866.
Sosa, C., Lee, C., Nachtigall, P., & Jordan, K.D. (1993). Density functional calculation of the Si-H dissociation energies on the Si(100) surface. In Materials Research Society Symposium Proceedings, 315, (pp. 273-278).