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Kenneth D. Jordan, Ph.D. - Publications

Affiliations: 
1974-1978 Chemistry Yale University, New Haven, CT 
 1978- Chemistry University of Pittsburgh, Pittsburgh, PA, United States 
Area:
Theoretical Chemistry
Website:
http://www.pitt.edu/~kjtheory/
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298 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Finney JM, Choi TH, Huchmala RM, Heindel JP, Xantheas SS, Jordan KD, McCoy AB. Isotope Effects in the Zundel-Eigen Isomerization of H(HO). The Journal of Physical Chemistry Letters. 4666-4672. PMID 37167485 DOI: 10.1021/acs.jpclett.3c00952  0.581
2022 Brzeski J, Jordan KD. Non-Valence Anions of Pyridine and the Diazines. The Journal of Physical Chemistry. A. 126: 5310-5313. PMID 35920853 DOI: 10.1021/acs.jpca.2c04040  0.317
2022 Dumi A, Upadhyay S, Bernasconi L, Shin H, Benali A, Jordan KD. The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations. The Journal of Chemical Physics. 156: 144702. PMID 35428395 DOI: 10.1063/5.0085982  0.785
2022 Mitra S, Denton JK, Kelleher PJ, Johnson MA, Guasco TL, Choi TH, Jordan KD. Water Network Shape-Dependence of Local Interactions with the Microhydrated -NO and -CO Anionic Head Groups by Cold Ion Vibrational Spectroscopy. The Journal of Physical Chemistry. A. PMID 35418229 DOI: 10.1021/acs.jpca.2c00721  0.548
2022 Mitra S, Khuu T, Choi TH, Huchmala RM, Jordan KD, McCoy AB, Johnson MA. Vibrational Signatures of HNO Acidity When Complexed with Microhydrated Alkali Metal Ions, M·(HNO)(HO) (M = Li, K, Na, Rb, Cs), at 20 K. The Journal of Physical Chemistry. A. 126: 1640-1647. PMID 35249322 DOI: 10.1021/acs.jpca.1c10352  0.505
2020 Upadhyay S, Dumi A, Shee J, Jordan KD. The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions. The Journal of Chemical Physics. 153: 224118. PMID 33317292 DOI: 10.1063/5.0030942  0.794
2020 Yang N, Edington SC, Choi TH, Henderson EV, Heindel JP, Xantheas SS, Jordan KD, Johnson MA. Mapping the temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage. Proceedings of the National Academy of Sciences of the United States of America. PMID 33024015 DOI: 10.1073/pnas.2017150117  0.514
2020 Kent PRC, Annaberdiyev A, Benali A, Bennett MC, Landinez Borda EJ, Doak P, Hao H, Jordan KD, Krogel JT, Kylänpää I, Lee J, Luo Y, Malone FD, Melton CA, Mitas L, et al. QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo. The Journal of Chemical Physics. 152: 174105. PMID 32384844 DOI: 10.1063/5.0004860  0.794
2020 Kairalapova A, Jordan KD. 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. The Journal of Physical Chemistry. A. PMID 32368912 DOI: 10.1021/Acs.Jpca.0C02758  0.795
2019 Jordan KD. Smallest water clusters supporting the ice I structure. Proceedings of the National Academy of Sciences of the United States of America. PMID 31740613 DOI: 10.1073/Pnas.1918178116  0.345
2019 Kairalapova A, Jordan KD, Falcetta MF, Steiner DK, Sutter BL, Gowen JS. Prediction of a Non-Valence Temporary Anion State of (NaCl). The Journal of Physical Chemistry. B. PMID 31576754 DOI: 10.1021/Acs.Jpcb.9B07782  0.808
2019 Henderson BV, Jordan KD. One-Dimensional Adiabatic Model Approach for Calculating Progressions in Vibrational Spectra of Ion-Water Complexes. The Journal of Physical Chemistry. A. PMID 31314534 DOI: 10.1021/Acs.Jpca.9B04157  0.362
2019 Ahmed M, Daly S, Dessent C, Dopfer O, Gabelica V, Gaigeot MP, Gatchell M, Gerber B, Gibbard J, Johnson C, Johnson M, Jordan K, Krylov A, Lovelock K, Mayer M, et al. Going large(r): general discussion. Faraday Discussions. PMID 31290873 DOI: 10.1039/C9Fd90034A  0.442
2019 Dessent C, Johnson M, Gerber B, Wester R, Asmis K, Avdonin I, Bieske E, Gatchell M, Bull J, Sarre P, Gaigeot MP, Chou CW, Mabbs R, Jordan K, Beyer MK, et al. Exotic systems: general discussion. Faraday Discussions. PMID 31287122 DOI: 10.1039/C9Fd90035G  0.445
2019 Simons J, Johnson M, Asmis K, McCoy AB, Daly S, Wester R, Rijs A, Sarre P, Gaigeot MP, Mabbs R, Jordan K, Dessent C, Neumark D, Chou CW, Gerber B, et al. Pushing resolution in frequency and time: general discussion. Faraday Discussions. PMID 31282905 DOI: 10.1039/C9Fd90033K  0.437
2019 Denton JK, Kelleher PJ, Johnson MA, Baer MD, Kathmann SM, Mundy CJ, Wellen Rudd BA, Allen HC, Choi TH, Jordan KD. Molecular-level origin of the carboxylate head group response to divalent metal ion complexation at the air-water interface. Proceedings of the National Academy of Sciences of the United States of America. PMID 31278149 DOI: 10.1073/Pnas.1818600116  0.565
2019 Ahmed M, Asmis K, Avdonin I, Beyer MK, Bieske E, Bougueroua S, Chou CW, Daly S, Dopfer O, Ellis-Gibbings L, Gabelica V, Gaigeot MP, Gatchell M, Gerber B, Johnson C, ... ... Jordan K, et al. Controlling internal degrees: general discussion. Faraday Discussions. PMID 31276148 DOI: 10.1039/C9Fd90032B  0.441
2019 Choi TH, Jordan KD. Model potential study of non-valence correlation-bound anions of (C) clusters: the role of electric field-induced charge transfer. Faraday Discussions. PMID 30994120 DOI: 10.1039/C8Fd00199E  0.573
2019 Kairalapova A, Jordan KD, Maienshein DN, Fair MC, Falcetta MF. Prediction of a Non-Valence Temporary Anion Shape Resonance for a Model (HO) System. The Journal of Physical Chemistry. A. PMID 30840459 DOI: 10.1021/Acs.Jpca.8B11881  0.819
2018 Duong CH, Yang N, Kelleher PJ, Johnson MA, DiRisio RJ, McCoy AB, Yu Q, Bowman JM, Henderson BV, Jordan KD. Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled HO Cation with Two-Color, IR-IR Double Resonance: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core. The Journal of Physical Chemistry. A. PMID 30351101 DOI: 10.1021/Acs.Jpca.8B08507  0.332
2018 Hao H, Shee J, Upadhyay S, Ataca C, Jordan KD, Rubenstein B. Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods. The Journal of Physical Chemistry Letters. PMID 30299101 DOI: 10.1021/Acs.Jpclett.8B02733  0.813
2018 Gasperich K, Jordan K, Simons J. Strategy for creating rational fraction fits to stabilization graph data on metastable electronic states Chemical Physics. 515: 342-349. DOI: 10.1016/J.Chemphys.2018.07.019  0.385
2017 Voora VK, Kairalapova A, Sommerfeld T, Jordan KD. Theoretical approaches for treating non-valence correlation-bound anions. The Journal of Chemical Physics. 147: 214114. PMID 29221378 DOI: 10.1063/1.4991497  0.802
2017 Choi TH, Vazhappilly T, Jordan KD. 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. The Journal of Chemical Physics. 147: 161717. PMID 29096454 DOI: 10.1063/1.4990396  0.579
2017 Piquemal JP, Jordan KD. Preface: Special Topic: From Quantum Mechanics to Force Fields. The Journal of Chemical Physics. 147: 161401. PMID 29096449 DOI: 10.1063/1.5008887  0.519
2017 Gasperich K, Deible M, Jordan KD. H4: A model system for assessing the performance of diffusion Monte Carlo calculations using a single Slater determinant trial function. The Journal of Chemical Physics. 147: 074106. PMID 28830169 DOI: 10.1063/1.4986216  0.413
2017 Samala NR, Jordan KD. Comment on a spurious prediction of a non-planar geometry for benzene at the MP2 level of theory Chemical Physics Letters. 669: 230-232. DOI: 10.1016/J.Cplett.2016.12.047  0.341
2017 Falcetta MF, Reilly ND, Jordan KD. Stabilization calculations of the low-lying temporary anions states of Be, Mg, and Ca Chemical Physics. 482: 239-243. DOI: 10.1016/J.Chemphys.2016.09.005  0.36
2016 Wolke CT, Fournier JA, Dzugan LC, Fagiani MR, Odbadrakh TT, Knorke H, Jordan KD, McCoy AB, Asmis KR, Johnson MA. Spectroscopic snapshots of the proton-transfer mechanism in water. Science (New York, N.Y.). 354: 1131-1135. PMID 27934761 DOI: 10.1126/Science.Aaf8425  0.368
2016 Sherman MC, Ams MR, Jordan KD. A SAPT Energy Analysis of Alkyl Fluorine - Aromatic Interactions in Torsion Balance Systems. The Journal of Physical Chemistry. A. PMID 27797186 DOI: 10.1021/Acs.Jpca.6B09193  0.332
2016 Gorlova O, DePalma JW, Wolke CT, Brathwaite A, Odbadrakh TT, Jordan KD, McCoy AB, Johnson MA. 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. The Journal of Chemical Physics. 145: 134304. PMID 27782420 DOI: 10.1063/1.4962912  0.413
2016 Falcetta MF, Fair MC, Tharnish EM, Williams LM, Hayes NJ, Jordan KD. 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)]. The Journal of Chemical Physics. 144: 239901. PMID 27334195 DOI: 10.1063/1.4954510  0.35
2016 Falcetta MF, Fair MC, Tharnish EM, Williams LM, Hayes NJ, Jordan KD. Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the (2)Π shape resonance. The Journal of Chemical Physics. 144: 104303. PMID 26979689 DOI: 10.1063/1.4943132  0.404
2016 Odbadrakh TT, Jordan KD. Dispersion dipoles for coupled Drude oscillators. The Journal of Chemical Physics. 144: 034111. PMID 26801024 DOI: 10.1063/1.4940217  0.308
2016 Kelly SJ, Sorescu DC, Wang J, Archer KA, Jordan KD, Maksymovych P. Structural and electronic properties of ultrathin picene films on the Ag(100) surface Surface Science. DOI: 10.1016/J.Susc.2016.02.007  0.332
2016 Archer KA, Jordan KD. Proton-coupled electron transfer in [pyridine·(H2O)n]−, n = 3, 4, clusters Chemical Physics Letters. 661: 196-199. DOI: 10.1016/J.Cplett.2016.08.078  0.358
2016 Deible MJ, Jordan KD. Exploration of Brueckner orbital trial wave functions in diffusion Monte Carlo calculations Chemical Physics Letters. 644: 117-120. DOI: 10.1016/J.Cplett.2015.11.053  0.374
2015 Voora VK, Jordan KD. Nonvalence Correlation-Bound Anion States of Polycyclic Aromatic Hydrocarbons. The Journal of Physical Chemistry Letters. 6: 3994-3997. PMID 26722767 DOI: 10.1021/Acs.Jpclett.5B01858  0.74
2015 Vazhappilly T, Marjolin A, Jordan KD. Theoretical Characterization of the Minimum Energy Structure of (SF6)2. The Journal of Physical Chemistry. B. PMID 26619257 DOI: 10.1021/Acs.Jpcb.5B09419  0.798
2015 DeBlase AF, Wolke CT, Weddle GH, Archer KA, Jordan KD, Kelly JT, Tschumper GS, Hammer NI, Johnson MA. Water network-mediated, electron-induced proton transfer in [C5H5N ⋅ (H2O)n](-) clusters. The Journal of Chemical Physics. 143: 144305. PMID 26472377 DOI: 10.1063/1.4931928  0.433
2015 Deible MJ, Kessler M, Gasperich KE, Jordan KD. Quantum Monte Carlo calculation of the binding energy of the beryllium dimer. The Journal of Chemical Physics. 143: 084116. PMID 26328827 DOI: 10.1063/1.4929351  0.412
2015 Fournier JA, Wolke CT, Johnson MA, Odbadrakh TT, Jordan KD, Kathmann SM, Xantheas SS. 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. The Journal of Physical Chemistry. A. PMID 26158593 DOI: 10.1021/Acs.Jpca.5B04355  0.435
2015 Civiš S, Ferus M, Zukalová M, Zukal A, Kavan L, Jordan KD, Sorescu DC. Oxygen atom exchange between gaseous CO2 and TiO2 nanoclusters Journal of Physical Chemistry C. 119: 3605-3612. DOI: 10.1021/Jp512059B  0.354
2015 Makaremi M, Jordan KD, Guthrie GD, Myshakin EM. Multiphase Monte Carlo and Molecular Dynamics Simulations of Water and CO2 Intercalation in Montmorillonite and Beidellite Journal of Physical Chemistry C. 119: 15112-15124. DOI: 10.1021/Acs.Jpcc.5B01754  0.337
2015 Odbadrakh TT, Voora V, Jordan KD. Application of electronic structure methods to coupled Drude oscillators Chemical Physics Letters. 630: 76-79. DOI: 10.1016/J.Cplett.2015.04.031  0.744
2014 Sorescu DC, Byrd EF, Rice BM, Jordan KD. Assessing the Performances of Dispersion-Corrected Density Functional Methods for Predicting the Crystallographic Properties of High Nitrogen Energetic Salts. Journal of Chemical Theory and Computation. 10: 4982-94. PMID 26584381 DOI: 10.1021/Ct5005615  0.327
2014 Voora VK, Jordan KD. Nonvalence correlation-bound anion states of spherical fullerenes. Nano Letters. 14: 4602-6. PMID 24978808 DOI: 10.1021/Nl5016574  0.72
2014 Heine N, Kratz EG, Bergmann R, Schofield DP, Asmis KR, Jordan KD, McCoy AB. Vibrational spectroscopy of the water-nitrate complex in the O-H stretching region. The Journal of Physical Chemistry. A. 118: 8188-97. PMID 24746257 DOI: 10.1021/Jp500964J  0.781
2014 Deible MJ, Tuguldur O, Jordan KD. Theoretical study of the binding energy of a methane molecule in a (H2O)20 dodecahedral cage. The Journal of Physical Chemistry. B. 118: 8257-63. PMID 24739053 DOI: 10.1021/Jp501592H  0.81
2014 Falcetta MF, DiFalco LA, Ackerman DS, Barlow JC, Jordan KD. Assessment of various electronic structure methods for characterizing temporary anion states: application to the ground state anions of N2, C2H2, C2H4, and C6H6. The Journal of Physical Chemistry. A. 118: 7489-97. PMID 24512273 DOI: 10.1021/Jp5003287  0.364
2014 Voora VK, Jordan KD. Nonvalence correlation-bound anion state of C6F6: doorway to low-energy electron capture. The Journal of Physical Chemistry. A. 118: 7201-5. PMID 24180211 DOI: 10.1021/Jp408386F  0.746
2014 Sorescu DC, Civiš S, Jordan KD. Mechanism of oxygen exchange between CO2 and TiO 2(101) anatase Journal of Physical Chemistry C. 118: 1628-1639. DOI: 10.1021/Jp410420E  0.316
2014 Karalti O, Su X, Al-Saidi WA, Jordan KD. Correcting density functionals for dispersion interactions using pseudopotentials Chemical Physics Letters. 591: 133-136. DOI: 10.1016/J.Cplett.2013.11.024  0.79
2014 Jordan KD, Voora VK, Simons J. Negative electron affinities from conventional electronic structure methods Theoretical Chemistry Accounts. 133: 1-5. DOI: 10.1007/S00214-014-1445-1  0.753
2013 Xu J, Deible MJ, Peterson KA, Jordan KD. Correlation Consistent Gaussian Basis Sets for H, B-Ne with Dirac-Fock AREP Pseudopotentials: Applications in Quantum Monte Carlo Calculations. Journal of Chemical Theory and Computation. 9: 2170-8. PMID 26583711 DOI: 10.1021/Ct300983B  0.593
2013 Voora VK, Cederbaum LS, Jordan KD. Existence of a Correlation Bound s-Type Anion State of C60. The Journal of Physical Chemistry Letters. 4: 849-53. PMID 26291345 DOI: 10.1021/Jz400195S  0.735
2013 Lee J, Sorescu DC, Deng X, Jordan KD. Water Chain Formation on TiO2(110). The Journal of Physical Chemistry Letters. 4: 53-7. PMID 26291211 DOI: 10.1021/Jz301727N  0.35
2013 Young JW, Pozun ZD, Jordan KD, Pratt DW. Excited electronic state mixing in 7-azaindole. Quantitative measurements using the Stark effect. The Journal of Physical Chemistry. B. 117: 15695-700. PMID 24028449 DOI: 10.1021/Jp406412F  0.357
2013 Pozun ZD, Su X, Jordan KD. Establishing the ground state of the disjoint diradical tetramethyleneethane with quantum Monte Carlo. Journal of the American Chemical Society. 135: 13862-9. PMID 23947763 DOI: 10.1021/Ja406002N  0.424
2013 DeBlase AF, Bloom S, Lectka T, Jordan KD, McCoy AB, Johnson MA. Origin of the diffuse vibrational signature of a cyclic intramolecular proton bond: Anharmonic analysis of protonated 1,8-disubstituted naphthalene ions. The Journal of Chemical Physics. 139: 024301. PMID 23862937 DOI: 10.1063/1.4810878  0.356
2013 Wang FF, Deible MJ, Jordan KD. Benchmark study of the interaction energy for an (H2O)16 cluster: quantum Monte Carlo and complete basis set limit MP2 results. The Journal of Physical Chemistry. A. 117: 7606-11. PMID 23763299 DOI: 10.1021/Jp404541C  0.419
2013 Voora VK, Ding J, Sommerfeld T, Jordan KD. A self-consistent polarization potential model for describing excess electrons interacting with water clusters. The Journal of Physical Chemistry. B. 117: 4365-70. PMID 22992137 DOI: 10.1021/Jp306940K  0.786
2013 Voora VK, Cederbaum LS, Jordan KD. Existence of a correlation bound s -Type anion state of C60 Journal of Physical Chemistry Letters. 4: 849-853. DOI: 10.1021/jz400195s  0.673
2013 Xu J, Deible MJ, Peterson KA, Jordan KD. Correlation consistent Gaussian basis sets for H, B-Ne with Dirac-Fock AREP pseudopotentials: Applications in quantum Monte Carlo calculations Journal of Chemical Theory and Computation. 9: 2170-2178. DOI: 10.1021/ct300983b  0.467
2012 Al-Saidi WA, Voora VK, Jordan KD. An Assessment of the vdW-TS Method for Extended Systems. Journal of Chemical Theory and Computation. 8: 1503-13. PMID 26596760 DOI: 10.1021/Ct200618B  0.71
2012 Vysotskiy VP, Cederbaum LS, Sommerfeld T, Voora VK, Jordan KD. Benchmark Calculations of the Energies for Binding Excess Electrons to Water Clusters. Journal of Chemical Theory and Computation. 8: 893-900. PMID 26593351 DOI: 10.1021/Ct200925X  0.776
2012 Sorescu DC, Lee J, Al-Saidi WA, Jordan KD. Coadsorption properties of CO2 and H2O on TiO2 rutile (110): a dispersion-corrected DFT study. The Journal of Chemical Physics. 137: 074704. PMID 22920134 DOI: 10.1063/1.4739088  0.321
2012 Karalti O, Alfè D, Gillan MJ, Jordan KD. Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab models. Physical Chemistry Chemical Physics : Pccp. 14: 7846-53. PMID 22535216 DOI: 10.1039/C2Cp00015F  0.813
2012 Gerardi HK, DeBlase AF, Leavitt CM, Su X, Jordan KD, McCoy AB, Johnson MA. Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)2-, with vibrational and photoelectron spectroscopies. The Journal of Chemical Physics. 136: 134318. PMID 22482563 DOI: 10.1063/1.3693271  0.366
2012 Breen KJ, DeBlase AF, Guasco TL, Voora VK, Jordan KD, Nagata T, Johnson MA. Bottom-up view of water network-mediated CO2 reduction using cryogenic cluster ion spectroscopy and direct dynamics simulations. The Journal of Physical Chemistry. A. 116: 903-12. PMID 22145700 DOI: 10.1021/Jp209493V  0.752
2012 Zhang G, Al-Saidi WA, Myshakin EM, Jordan KD. Dispersion-corrected density functional theory and classical force field calculations of water loading on a pyrophyllite(001) surface Journal of Physical Chemistry C. 116: 17134-17141. DOI: 10.1021/Jp305801D  0.573
2012 Vysotskiy VP, Cederbaum LS, Sommerfeld T, Voora VK, Jordan KD. Benchmark calculations of the energies for binding excess electrons to water clusters Journal of Chemical Theory and Computation. 8: 893-900. DOI: 10.1021/ct200925x  0.757
2012 Al-Saidi WA, Voora VK, Jordan KD. An assessment of the vdW-TS method for extended systems Journal of Chemical Theory and Computation. 8: 1503-1513. DOI: 10.1021/ct200618b  0.654
2012 Piquemal JP, Jordan KD. From quantum mechanics to force fields: New methodologies for the classical simulation of complex systems Theoretical Chemistry Accounts. 131: 1-2. DOI: 10.1007/S00214-012-1207-X  0.529
2012 Wang FF, Kumar R, Jordan KD. A distributed point polarizable force field for carbon dioxide Theoretical Chemistry Accounts. 131: 1-8. DOI: 10.1007/S00214-012-1132-Z  0.322
2011 Sorescu DC, Al-Saidi WA, Jordan KD. CO2 adsorption on TiO2(101) anatase: a dispersion-corrected density functional theory study. The Journal of Chemical Physics. 135: 124701. PMID 21974546 DOI: 10.1063/1.3638181  0.324
2011 Voora VK, Al-Saidi WA, Jordan KD. Density functional theory study of pyrophyllite and M-montmorillonites (M = Li, Na, K, Mg, and Ca): role of dispersion interactions. The Journal of Physical Chemistry. A. 115: 9695-703. PMID 21520925 DOI: 10.1021/Jp201277F  0.733
2011 Jenness GR, Karalti O, Al-Saidi WA, Jordan KD. Evaluation of theoretical approaches for describing the interaction of water with linear acenes. The Journal of Physical Chemistry. A. 115: 5955-64. PMID 21410273 DOI: 10.1021/Jp110374B  0.81
2011 Sorescu DC, Lee J, Al-Saidi WA, Jordan KD. CO2 adsorption on TiO2(110) rutile: insight from dispersion-corrected density functional theory calculations and scanning tunneling microscopy experiments. The Journal of Chemical Physics. 134: 104707. PMID 21405184 DOI: 10.1063/1.3561300  0.352
2011 Gerardi HK, DeBlase AF, Su X, Jordan KD, McCoy AB, Johnson MA. Unraveling the Anomalous Solvatochromic Response of the Formate Ion Vibrational Spectrum: An Infrared, Ar-Tagging Study of the HCO2¯, DCO2¯, and HCO2¯·H2O Ions The Journal of Physical Chemistry Letters. 2: 2437-2441. DOI: 10.1021/Jz200937V  0.341
2010 Choi TH, Sommerfeld T, Yilmaz SL, Jordan KD. Discrete Variable Representation Implementation of the One-Electron Polarization Model. Journal of Chemical Theory and Computation. 6: 2388-94. PMID 26613494 DOI: 10.1021/ct100263r  0.467
2010 Jordan KD, Johnson MA. Chemistry. Downsizing the hydrated electron's lair. Science (New York, N.Y.). 329: 42-3. PMID 20595604 DOI: 10.1126/Science.1191707  0.338
2010 Choi TH, Jordan KD. Application of the SCC-DFTB method to H+(H2O)6, H+(H2O)21, and H+(H2O)22. The Journal of Physical Chemistry. B. 114: 6932-6. PMID 20433189 DOI: 10.1021/Jp912289E  0.61
2010 Jenness GR, Karalti O, Jordan KD. Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods. Physical Chemistry Chemical Physics : Pccp. 12: 6375-81. PMID 20414490 DOI: 10.1039/C000988A  0.8
2010 Wang FF, Jenness G, Al-Saidi WA, Jordan KD. Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters. The Journal of Chemical Physics. 132: 134303. PMID 20387929 DOI: 10.1063/1.3373815  0.782
2010 Douberly GE, Walters RS, Cui J, Jordan KD, Duncan MA. Infrared spectroscopy of small protonated water clusters, H(+)(H2O)n (n = 2-5): isomers, argon tagging, and deuteration. The Journal of Physical Chemistry. A. 114: 4570-9. PMID 20232806 DOI: 10.1021/Jp100778S  0.54
2010 Kumar R, Wang FF, Jenness GR, Jordan KD. A second generation distributed point polarizable water model. The Journal of Chemical Physics. 132: 014309. PMID 20078163 DOI: 10.1063/1.3276460  0.759
2010 Relph RA, Guasco TL, Elliott BM, Kamrath MZ, McCoy AB, Steele RP, Schofield DP, Jordan KD, Viggiano AA, Ferguson EE, Johnson MA. How the shape of an H-bonded network controls proton-coupled water activation in HONO formation. Science (New York, N.Y.). 327: 308-12. PMID 20075247 DOI: 10.1126/Science.1177118  0.372
2010 Xu J, Jordan KD. Application of the diffusion Monte Carlo method to the binding of excess electrons to water clusters. The Journal of Physical Chemistry. A. 114: 1364-6. PMID 19788288 DOI: 10.1021/Jp9066108  0.623
2010 Kumar R, Wang F, Jenness GR, Jordan KD. Erratum: “A second generation distributed point polarizable water model” [J. Chem. Phys. 132, 014309 (2010)] The Journal of Chemical Physics. 132: 139902. DOI: 10.1063/1.3371871  0.717
2010 Guasco TL, Elliott BM, Johnson MA, Ding J, Jordan KD. Isolating the spectral signatures of individual sites in water networks using vibrational double-resonance spectroscopy of cluster isotopomers Journal of Physical Chemistry Letters. 1: 2396-2401. DOI: 10.1021/Jz100730Q  0.497
2010 Choi TH, Sommerfeld T, Yilmaz SL, Jordan KD. Discrete variable representation implementation of the one-electron polarization model Journal of Chemical Theory and Computation. 6: 2388-2394. DOI: 10.1021/ct100263r  0.467
2009 Schofield DP, Jordan KD. Molecular dynamics simulations of bromine clathrate hydrates. The Journal of Physical Chemistry. A. 113: 7431-8. PMID 19552476 DOI: 10.1021/Jp900237J  0.308
2009 Kaledin M, Kaledin AL, Bowman JM, Ding J, Jordan KD. Calculation of the vibrational spectra of H5O2(+) and its deuterium-substituted isotopologues by molecular dynamics simulations. The Journal of Physical Chemistry. A. 113: 7671-7. PMID 19368403 DOI: 10.1021/Jp900737R  0.511
2009 Relph RA, Elliott BM, Weddle GH, Johnson MA, Ding J, Jordan KD. 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. The Journal of Physical Chemistry. A. 113: 975-81. PMID 19152322 DOI: 10.1021/Jp808283R  0.504
2009 Kumar R, Christie RA, Jordan KD. A modified MSEVB force field for protonated water clusters. The Journal of Physical Chemistry. B. 113: 4111-8. PMID 19006357 DOI: 10.1021/Jp8066475  0.325
2009 Jenness GR, Jordan KD. 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: 10242-10248. DOI: 10.1021/Jp9015307  0.768
2009 Choi TH, Jordan KD. Potential energy landscape of the (H2 O)6 - cluster Chemical Physics Letters. 475: 293-297. DOI: 10.1016/J.Cplett.2009.05.059  0.626
2009 Choi TH, Jordan KD. Potential energy landscape of the (H2O)6- cluster Chemical Physics Letters. 475: 293-297. DOI: 10.1016/j.cplett.2009.05.059  0.553
2009 Jordan KD. Recent developments in electron-molecule scattering International Journal of Quantum Chemistry. 20: 331-340. DOI: 10.1002/Qua.560200835  0.326
2009 Jordan KD. Use of unrestricted hartree-fock wave functions in RPA calculations International Journal of Quantum Chemistry. 7: 491-504. DOI: 10.1002/Qua.560070756  0.343
2008 Maksymovych P, Sorescu DC, Jordan KD, Yates JT. Collective reactivity of molecular chains self-assembled on a surface. Science (New York, N.Y.). 322: 1664-7. PMID 19074343 DOI: 10.1126/Science.1165291  0.31
2008 Sommerfeld T, DeFusco A, Jordan KD. Model potential approaches for describing the interaction of excess electrons with water clusters: incorporation of long-range correlation effects. The Journal of Physical Chemistry. A. 112: 11021-35. PMID 18959395 DOI: 10.1021/Jp806077H  0.438
2008 Baquero EE, James WH, Choi TH, Jordan KD, Zwier TS. Single conformation spectroscopy of a flexible bichromophore: 3-(4-hydroxyphenyl)-N-benzylpropionamide. The Journal of Physical Chemistry. A. 112: 11115-23. PMID 18850691 DOI: 10.1021/Jp806787P  0.553
2008 Roscioli JR, Hammer NI, Johnson MA, Diri K, Jordan KD. 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. The Journal of Chemical Physics. 128: 104314. PMID 18345895 DOI: 10.1063/1.2827475  0.831
2008 Lampart WM, Schofield DP, Christie RA, Jordan KD. Model systems for exploring electron correlation effects in the buckling of SiSi dimers on the Si(100) surface Molecular Physics. 106: 1697-1702. DOI: 10.1080/00268970802317504  0.39
2008 Lee J, Sorescu DC, Jordan KD, Yates JT. Hydroxyl chain formation on the Cu(110) surface: Watching water dissociation Journal of Physical Chemistry C. 112: 17672-17677. DOI: 10.1021/Jp807467X  0.336
2008 Choi TH, Jordan KD. Analytical gradient for geometry optimizations of (H2 O)n - clusters as described by the PM1 polarizable model Chemical Physics Letters. 464: 139-143. DOI: 10.1016/J.Cplett.2008.09.002  0.584
2008 DeFusco A, Sommerfeld T, Jordan KD. Parallel tempering Monte Carlo simulations of the water heptamer anion Chemical Physics Letters. 455: 135-138. DOI: 10.1016/J.Cplett.2008.02.081  0.4
2007 Shubert VA, Baquero EE, Clarkson JR, James WH, Turk JA, Hare AA, Worrel K, Lipton MA, Schofield DP, Jordan KD, Zwier TS. Entropy-driven population distributions in a prototypical molecule with two flexible side chains: O-(2-acetamidoethyl)-N-acetyltyramine. The Journal of Chemical Physics. 127: 234315. PMID 18154390 DOI: 10.1063/1.2803076  0.383
2007 Schneider H, Weber JM, Myshakin EM, Jordan KD, Bopp J, Herden T, Johnson MA. Theoretical and infrared spectroscopic investigation of the O(2) (-).benzene and O(4) (-).benzene complexes. The Journal of Chemical Physics. 127: 084319. PMID 17764260 DOI: 10.1063/1.2759929  0.326
2007 Agbo JK, Leitner DM, Myshakin EM, Jordan KD. Quantum energy flow and the kinetics of water shuttling between hydrogen bonding sites on trans-formanilide. The Journal of Chemical Physics. 127: 064315. PMID 17705604 DOI: 10.1063/1.2754689  0.406
2007 Schofield DP, Jordan KD. Theoretical investigation of the electronically excited states of chlorine hydrate. The Journal of Physical Chemistry. A. 111: 7690-4. PMID 17645322 DOI: 10.1021/Jp073068A  0.453
2007 Liu H, Deng K, Cohen T, Jordan KD. 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: 1911-4. PMID 17439226 DOI: 10.1021/Ol070453+  0.627
2007 Defusco A, Schofield DP, Jordan KD. Comparison of models with distributed polarizable sites for describing water clusters Molecular Physics. 105: 2681-2696. DOI: 10.1080/00268970701620669  0.389
2006 Bayden AS, Brummond KM, Jordan KD. Computational Insight Concerning Catalytic Decision Points of the Transition Metal Catalyzed [2 + 2 + 1] Cyclocarbonylation Reaction of Allenes. Organometallics. 25: 5204-5206. PMID 26005240 DOI: 10.1021/Om0607503  0.779
2006 Sommerfeld T, Gardner SD, DeFusco A, Jordan KD. Low-lying isomers and finite temperature behavior of (H2O)6 -. The Journal of Chemical Physics. 125: 174301. PMID 17100433 DOI: 10.1063/1.2358984  0.44
2006 Cui J, Liu H, Jordan KD. Theoretical characterization of the (H2O)21 cluster: application of an n-body decomposition procedure. The Journal of Physical Chemistry. B. 110: 18872-8. PMID 16986878 DOI: 10.1021/Jp056416M  0.758
2006 Suzuki T, Sorescu DC, Jordan KD, Yates JT. The chemisorption of dibenzo[a,j]coronene on Si(001)-2 x 1. The Journal of Chemical Physics. 124: 224708. PMID 16784302 DOI: 10.1063/1.2190224  0.319
2006 Sommerfeld T, Jordan KD. Electron binding motifs of (H2O)n- clusters. Journal of the American Chemical Society. 128: 5828-33. PMID 16637652 DOI: 10.1021/Ja0587446  0.426
2006 Li B, Zhao J, Onda K, Jordan KD, Yang J, Petek H. Ultrafast interfacial proton-coupled electron transfer. Science (New York, N.Y.). 311: 1436-40. PMID 16527974 DOI: 10.1126/Science.1122190  0.341
2006 Zhao J, Li B, Jordan KD, Yang J, Petek H. Interplay between hydrogen bonding and electron solvation on hydrated Ti O2 (110) Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.195309  0.438
2006 Friesner RA, Jordan KD, Reichman D. Tribute to Robert J. Silbey The Journal of Physical Chemistry B. 110: 18734-18734. DOI: 10.1021/Jp062035C  0.587
2006 McCarthy VN, Jordan KD. Structure and stability of the (H2O)21 and (H2O)20 · (H2S) clusters: Relevance of cluster systems to gas hydrate formation Chemical Physics Letters. 429: 166-168. DOI: 10.1016/J.Cplett.2006.06.120  0.332
2005 Walker NR, Walters RS, Tsai MK, Jordan KD, Duncan MA. Infrared photodissociation spectroscopy of Mg(+)(H2O)Ar(n) complexes: isomers in progressive microsolvation. The Journal of Physical Chemistry. A. 109: 7057-67. PMID 16834068 DOI: 10.1021/Jp051877T  0.356
2005 Liu H, Jordan KD. On the convergence of parallel tempering Monte Carlo simulations of LJ38. The Journal of Physical Chemistry. A. 109: 5203-7. PMID 16833877 DOI: 10.1021/Jp050367W  0.659
2005 Diri K, Myshakin EM, Jordan KD. On the contribution of vibrational anharmonicity to the binding energies of water clusters. The Journal of Physical Chemistry. A. 109: 4005-9. PMID 16833722 DOI: 10.1021/Jp050004W  0.829
2005 Sommerfeld T, Jordan KD. Quantum Drude oscillator model for describing the interaction of excess electrons with water clusters: an application to (H2O)13(-). The Journal of Physical Chemistry. A. 109: 11531-8. PMID 16354045 DOI: 10.1021/Jp053768K  0.456
2005 Hammer NI, Roscioli JR, Johnson MA, Myshakin EM, Jordan KD. Infrared spectrum and structural assignment of the water trimer anion. The Journal of Physical Chemistry. A. 109: 11526-30. PMID 16354044 DOI: 10.1021/Jp053769C  0.442
2005 Diken EG, Hammer NI, Johnson MA, Christie RA, Jordan KD. Mid-infrared characterization of the NH4 +(H2O)n clusters in the neighborhood of the n=20 "magic" number. The Journal of Chemical Physics. 123: 164309. PMID 16268699 DOI: 10.1063/1.2074487  0.378
2005 Hammer NI, Diken EG, Roscioli JR, Johnson MA, Myshakin EM, Jordan KD, McCoy AB, Huang X, Bowman JM, Carter S. 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. The Journal of Chemical Physics. 122: 244301. PMID 16035751 DOI: 10.1063/1.1927522  0.377
2005 Clarkson JR, Dian BC, Moriggi L, DeFusco A, McCarthy V, Jordan KD, Zwier TS. Direct measurement of the energy thresholds to conformational isomerization in tryptamine: experiment and theory. The Journal of Chemical Physics. 122: 214311. PMID 15974742 DOI: 10.1063/1.1924454  0.346
2005 Headrick JM, Diken EG, Walters RS, Hammer NI, Christie RA, Cui J, Myshakin EM, Duncan MA, Johnson MA, Jordan KD. Spectral signatures of hydrated proton vibrations in water clusters. Science (New York, N.Y.). 308: 1765-9. PMID 15961665 DOI: 10.1126/Science.1113094  0.533
2005 Robertson WD, Hammer NI, Bartmess JE, Compton RN, Diri K, Jordan KD. Negative ions of ethylene sulfite. The Journal of Chemical Physics. 122: 204319. PMID 15945736 DOI: 10.1063/1.1913578  0.81
2005 Onda K, Li B, Zhao J, Jordan KD, Yang J, Petek H. Wet electrons at the H2O/TiO2(110) surface. Science (New York, N.Y.). 308: 1154-8. PMID 15905397 DOI: 10.1126/Science.1109366  0.391
2005 Garrett BC, Dixon DA, Camaioni DM, Chipman DM, Johnson MA, Jonah CD, Kimmel GA, Miller JH, Rescigno TN, Rossky PJ, Xantheas SS, Colson SD, Laufer AH, Ray D, Barbara PF, ... ... Jordan KD, et al. Role of water in electron-initiated processes and radical chemistry: issues and scientific advances. Chemical Reviews. 105: 355-90. PMID 15720157 DOI: 10.1021/Cr030453X  0.307
2005 Clarkson JR, Baquero E, Shubert VA, Myshakin EM, Jordan KD, Zwier TS. Laser-initiated shuttling of a water molecule between H-bonding sites. Science (New York, N.Y.). 307: 1443-6. PMID 15692014 DOI: 10.1126/Science.1106977  0.319
2005 Steckel JA, Jordan KD. Theoretical methods for modeling chemical processes on semiconductor surfaces Computational Materials Chemistry: Methods and Applications. 246-265. DOI: 10.1007/1-4020-2117-8_6  0.704
2004 Jordan KD. Chemistry. A fresh look at electron hydration. Science (New York, N.Y.). 306: 618-9. PMID 15498999 DOI: 10.1126/Science.1104678  0.368
2004 Hammer NI, Hinde RJ, Compton RN, Diri K, Jordan KD, Radisic D, Stokes ST, Bowen KH. Dipole-bound anions of highly polar molecules: ethylene carbonate and vinylene carbonate. The Journal of Chemical Physics. 120: 685-90. PMID 15267903 DOI: 10.1063/1.1629669  0.814
2004 Sindelka M, Spirko V, Jungwirth P, Wang F, Mahalakshmi S, Jordan KD. Calculation of the photodetachment cross sections of the HCN- and HNC- dipole-bound anions as described by a one-electron Drude model. The Journal of Chemical Physics. 121: 1824-9. PMID 15260733 DOI: 10.1063/1.1766296  0.341
2004 Shin JW, Hammer NI, Diken EG, Johnson MA, Walters RS, Jaeger TD, Duncan MA, Christie RA, Jordan KD. Infrared signature of structures associated with the H+(H2O)n (n = 6 to 27) clusters. Science (New York, N.Y.). 304: 1137-40. PMID 15118122 DOI: 10.1126/Science.1096466  0.335
2004 Myshakin EM, Diri K, Jordan KD. Theoretical investigation of the neutral precursor of (H 2O) 6 - Journal of Physical Chemistry A. 108: 6758-6762. DOI: 10.1021/Jp048726V  0.811
2004 Tsai MK, Wang F, Jordan KD. Electron Attachment to (H 2O) 2Ar n Clusters Journal of Physical Chemistry A. 108: 2912-2921. DOI: 10.1021/Jp037081G  0.386
2004 Alfonso DR, Karapetian K, Sorescu DC, Jordan KD. Characterization of water clusters in organic molecular hosts from density functional theory calculations Journal of Physical Chemistry B. 108: 3431-3436. DOI: 10.1021/Jp0309320  0.802
2004 Bayden AS, Jordan KD. Use of extended dimensions in global optimization Chemical Physics Letters. 385: 101-104. DOI: 10.1016/J.Cplett.2003.12.059  0.76
2003 Alfonso DR, Jordan KD. A flexible nudged elastic band program for optimization of minimum energy pathways using ab initio electronic structure methods. Journal of Computational Chemistry. 24: 990-6. PMID 12720320 DOI: 10.1002/Jcc.10233  0.617
2003 Jordan KD, Wang F. Theory of dipole-bound anions. Annual Review of Physical Chemistry. 54: 367-96. PMID 12626734 DOI: 10.1146/Annurev.Physchem.54.011002.103851  0.388
2003 Myshakin EM, Jordan KD, Sibert EL, Johnson MA. Large anharmonic effects in the infrared spectra of the symmetrical CH3NO2 -·(H2O) and CH3CO2 -·(H2O) complexes Journal of Chemical Physics. 119: 10138-10145. DOI: 10.1063/1.1616918  0.319
2003 Hammer NI, Diri K, Jordan KD, Desfrançois C, Compton RN. Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules Journal of Chemical Physics. 119: 3650-3660. DOI: 10.1063/1.1590959  0.821
2003 Myshakin EM, Jordan KD, Robertson WH, Weddle GH, Johnson MA. Dominant structural motifs of NO-·(H2O)n complexes: Infrared spectroscopic and ab initio studies Journal of Chemical Physics. 118: 4945-4953. DOI: 10.1063/1.1545771  0.43
2003 Florio GM, Zwier TS, Myshakin EM, Jordan KD, Sibert EL. Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles anharmonic couplings Journal of Chemical Physics. 118: 1735-1746. DOI: 10.1063/1.1530573  0.319
2003 Liu H, Jordan KD. Finite temperature properties of (CO2)n clusters Journal of Physical Chemistry A. 107: 5703-5709. DOI: 10.1021/Jp0345295  0.681
2003 Tharrington AN, Jordan KD. Parallel-Tempering Monte Carlo Study of (H2O)n = 6-9 Journal of Physical Chemistry A. 107: 7380-7389. DOI: 10.1021/Jp030355F  0.356
2003 Jung Y, Akinaga Y, Jordan KD, Gordon MS. An ab initio study of the structure of two-, three- and five-dimersilicon clusters: An approach to the Si(100) surface Theoretical Chemistry Accounts. 109: 268-273. DOI: 10.1007/S00214-002-0420-4  0.382
2002 Florio GM, Christie RA, Jordan KD, Zwier TS. Conformational preferences of jet-cooled melatonin: probing trans- and cis-amide regions of the potential energy surface. Journal of the American Chemical Society. 124: 10236-47. PMID 12188688 DOI: 10.1021/Ja0265916  0.334
2002 Wang F, Jordan KD. Application of a Drude model to the binding of excess electrons to water clusters Journal of Chemical Physics. 116: 6973-6981. DOI: 10.1063/1.1461811  0.462
2002 Robertson WH, Karapetian K, Ayotte P, Jordan KD, Johnson MA. Infrared predissociation spectroscopy of I-·(CH3OH)n, n = 1,2: Cooperativity in asymmetric solvation Journal of Chemical Physics. 116: 4853-4857. DOI: 10.1063/1.1451249  0.804
2002 Alfonso DR, Jordan KD. Rearrangement pathways of the water trimer and tetramer anions Journal of Chemical Physics. 116: 3612-3616. DOI: 10.1063/1.1447903  0.653
2002 Woronowicz EA, Robertson WH, Weddle GH, Johnson MA, Myshakin EM, Jordan KD. Infrared spectroscopic characterization of the symmetrical hydration motif in the SO2 -·H2O complex Journal of Physical Chemistry A. 106: 7086-7089. DOI: 10.1021/Jp0211178  0.361
2002 Robertson WH, Johnson MA, Myshakin EM, Jordan KD. 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: 10010-10014. DOI: 10.1021/Jp020891S  0.337
2002 Steckel JA, Jordan KD, Avouris P. Oxygen atom reactions with circumtrindene and related molecules: Analogues for the oxidation of nanotube caps Journal of Physical Chemistry A. 106: 2572-2579. DOI: 10.1021/Jp014421U  0.747
2002 Wang F, Sorescu DC, Jordan KD. Theoretical calculations of voltage-dependent STM images of acetylene on the Si(001) surface Journal of Physical Chemistry B. 106: 1316-1321. DOI: 10.1021/Jp0135048  0.301
2002 Vila FD, Jordan KD. Theoretical study of the dipole-bound excited states of I-(H2O)4 Journal of Physical Chemistry A. 106: 1391-1397. DOI: 10.1021/Jp013169N  0.705
2002 Munro LJ, Tharrington A, Jordan KD. Global optimization and finite temperature simulations of atomic clusters: Use of XenArm clusters as test systems Computer Physics Communications. 145: 1-23. DOI: 10.1016/S0010-4655(01)00430-1  0.781
2001 Wang F, Jordan KD. A Drude-model approach to dispersion interactions in dipole-bound anions Journal of Chemical Physics. 114: 10717-10724. DOI: 10.1063/1.1376630  0.445
2001 Munro LJ, Johnson JK, Jordan KD. An interatomic potential for mercury dimer Journal of Chemical Physics. 114: 5545-5551. DOI: 10.1063/1.1351877  0.804
2001 Sorescu DC, Jordan KD, Avouris P. Theoretical study of oxygen adsorption on graphite and the (8,0) single-walled carbon nanotube Journal of Physical Chemistry B. 105: 11227-11232. DOI: 10.1021/Jp0122979  0.315
2001 Steckel JA, Phung T, Jordan KD, Nachtigall P. 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: 4031-4038. DOI: 10.1021/Jp0035176  0.818
2000 Gruenloh CJ, Carney JR, Hagemeister FC, Zwier TS, Wood JT, Jordan KD. Resonant ion-dip infrared spectroscopy of benzene-(water)9: Expanding the cube Journal of Chemical Physics. 113: 2290-2303. DOI: 10.1063/1.482044  0.354
2000 Vila F, Borowski P, Jordan KD. Theoretical study of the low-lying electronically excited states of diacetylene Journal of Physical Chemistry A. 104: 9009-9016. DOI: 10.1021/Jp001969C  0.656
2000 Vila F, Borowski P, Jordan KD. Theoretical Study of the Low-Lying Electronically Excited States of Diacetylene The Journal of Physical Chemistry A. 104: 9009-9016. DOI: 10.1021/jp001969c  0.613
2000 Falcetta MF, Choi Y, Jordan KD. Ab initio investigation of the temporary anion states of perfluoroethane Journal of Physical Chemistry A. 104: 9605-9612. DOI: 10.1021/Jp001782L  0.389
2000 Feller D, Jordan KD. Estimating the strength of the water/single-layer graphite interaction Journal of Physical Chemistry A. 104: 9971-9975. DOI: 10.1021/Jp001766O  0.395
2000 Sorescu DC, Jordan KD. Theoretical study of the adsorption of acetylene on the Si(001) surface Journal of Physical Chemistry B. 104: 8259-8267. DOI: 10.1021/Jp001353N  0.373
2000 Shen TC, Steckel JA, Jordan KD. Electron-stimulated bond rearrangements on the H/Si(100)-3×1 surface Surface Science. 446: 211-218. DOI: 10.1016/S0039-6028(99)01147-4  0.758
2000 Jordan KD. Perspective on "Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening σ bonds" Theoretical Chemistry Accounts. 103: 286-288. DOI: 10.1007/978-3-662-10421-7_36  0.331
1999 Ayotte P, Weddle GH, Bailey CG, Johnson MA, Vila F, Jordan KD. Infrared spectroscopy of negatively charged water clusters: Evidence for a linear network The Journal of Chemical Physics. 110: 6268-6277. DOI: 10.1063/1.478531  0.682
1999 Jordan KD. Electronic structure of small metal clusters. I. Anions of Be2, Be3, and Be4 The Journal of Chemical Physics. 67: 4027. DOI: 10.1063/1.435431  0.419
1999 Love DE, Jordan KD. Near-Threshold Electron-Impact Excitation of the Low-Lying Rydberg States of Ethylene Journal of Physical Chemistry A. 103: 5667-5670. DOI: 10.1021/Jp990509K  0.324
1999 Falcetta MF, Jordan KD. Ab initio investigation of the temporary anion states of silane and the linear silanes: (SinH2n+2), n=2-5 Chemical Physics Letters. 300: 588-594. DOI: 10.1016/S0009-2614(98)01412-2  0.416
1998 Gruenloh CJ, Carney JR, Hagemeister FC, Arrington CA, Zwier TS, Fredericks SY, Wood JT, Jordan KD. Resonant ion-dip infrared spectroscopy of the S4 and D2d water octamers in benzene-(water)8 and benzene2-(water)8 Journal of Chemical Physics. 109: 6601-6614. DOI: 10.1063/1.477346  0.409
1998 Sanov A, Nandi S, Jordan KD, Lineberger WC. Photochemistry of (OCS)n - cluster ions Journal of Chemical Physics. 109: 1264-1270. DOI: 10.1063/1.476677  0.392
1998 Clifford EP, Wenthold PG, Lineberger WC, Ellison GB, Wang CX, Grabowski JJ, Vila F, Jordan KD. Properties of tetramethyleneethane (TME) as revealed by ion chemistry and ion photoelectron spectroscopy Journal of the Chemical Society. Perkin Transactions 2. 1015-1022. DOI: 10.1039/A707322D  0.598
1998 Sanov A, Lineberger WC, Jordan KD. Electronic structure of (CS2)2 - Journal of Physical Chemistry A. 102: 2509-2511. DOI: 10.1021/Jp9809639  0.4
1998 Gutowski M, Jordan KD, Skurski P. Electronic structure of dipole-bound anions Journal of Physical Chemistry A. 102: 2624-2633. DOI: 10.1021/Jp980123U  0.427
1998 Diep P, Jordan KD, Johnson JK, Beckmann EJ. CO2-fluorocarbon and CO2-hydrocarbon interactions from first-principles calculations Journal of Physical Chemistry A. 102: 2231-2236. DOI: 10.1021/Jp9730306  0.402
1998 Pedulla JM, Kim K, Jordan KD. Theoretical study of the n-body interaction energies of the ring, cage and prism forms of (H2O)6 Chemical Physics Letters. 291: 78-84. DOI: 10.1016/S0009-2614(98)00582-X  0.403
1998 Borowski P, Jordan KD, Nichols J, Nachtigall P. Investigation of a hybrid TCSCF-DFT procedure Theoretical Chemistry Accounts. 99: 135-140. DOI: 10.1007/S002140050315  0.542
1997 Gruenloh CJ, Carney JR, Arrington CA, Zwier TS, Fredericks SY, Jordan KD. Infrared spectrum of a molecular ice cube: The S4 and D(2d) water octamers in benzene-(water)8 Science. 276: 1678-1681. DOI: 10.1126/Science.276.5319.1678  0.369
1997 Fredericks SY, Jordan KD. On the possible existence of a charge-separated (H3O+)4(OH-)4 form of (H2O)8 Molecular Physics. 92: 445-448. DOI: 10.1080/002689797170185  0.36
1997 Gutowski M, Skurski P, Jordan KD, Simons J. Energies of dipole-bound anionic states International Journal of Quantum Chemistry. 64: 183-191. DOI: 10.1002/(Sici)1097-461X(1997)64:2<183::Aid-Qua5>3.0.Co;2-S  0.483
1996 Gutowski M, Skurski P, Boldyrev AI, Simons J, Jordan KD. Contribution of electron correlation to the stability of dipole-bound anionic states. Physical Review. A. 54: 1906-1909. PMID 9913678 DOI: 10.1103/Physreva.54.1906  0.412
1996 Burrow PD, Gallup GA, Fabrikant II, Jordan KD. Dissociative attachment studies of halogen-containing molecules: Problems, applications and challenges Australian Journal of Physics. 49: 403-423. DOI: 10.1071/Ph960403  0.326
1996 Pedulla JM, Vila F, Jordan KD. 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: 11091-11099. DOI: 10.1063/1.472910  0.708
1996 Pedulla JM, Vila F, Jordan KD. Binding energy of the ring form of (H2O)6: Comparison of the predictions of conventional and localized‐orbital MP2 calculations The Journal of Chemical Physics. 105: 11091-11099. DOI: 10.1063/1.472910  0.633
1996 Frost RK, Hagemeister FC, Arrington CA, Schleppenbach D, Zwier TS, Jordan KD. Fluorescence‐dip infrared spectroscopy of the tropolone‐H2O complex Journal of Chemical Physics. 105: 2605-2617. DOI: 10.1063/1.472125  0.348
1996 Nachtigall P, Jordan KD, Smith A, Jónsson H. Investigation of the reliability of density functional methods: Reaction and activation energies for Si–Si bond cleavage and H2 elimination from silanes The Journal of Chemical Physics. 104: 148-158. DOI: 10.1063/1.470885  0.621
1996 Fredericks SY, Jordan KD, Zwier TS. Theoretical characterization of the structures and vibrational spectra of benzene-(H2O)n (n = 1-3) clusters Journal of Physical Chemistry. 100: 7810-7821. DOI: 10.1021/Jp9535710  0.427
1996 Nachtigallova D, Love DE, Jordan KD. Low-lying electronically excited states of CH3Cl: Comparison of theory and experiment Journal of Physical Chemistry. 100: 5642-5648. DOI: 10.1021/Jp953073R  0.338
1996 Love DE, Nachtigallova D, Jordan KD, Lawson JM, Paddon-Row MN. 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: X-1236. DOI: 10.1021/Ja9534664  0.413
1995 Smith AP, Wiggs JK, Jónsson H, Yan H, Corrales LR, Nachtigall P, Jordan KD. Si adatom binding and diffusion on the Si(100) surface: Comparison of ab initio, semiempirical and empirical potential results The Journal of Chemical Physics. 102: 1044-1056. DOI: 10.1063/1.469453  0.643
1995 Nash JJ, Zwier TS, Jordan KD. Mode‐selective photoisomerization in 5‐hydroxytropolone. II. Theory Journal of Chemical Physics. 102: 5260-5270. DOI: 10.1063/1.469251  0.385
1995 Pearl DM, Burrow PD, Nash JJ, Morrison H, Nachtigallova D, Jordan KD. Dissociative Attachment as a Probe of the Distance Dependence of Intramolecular Electron Transfer The Journal of Physical Chemistry. 99: 12379-12381. DOI: 10.1021/J100033A003  0.309
1995 Kim K, Jordan KD. Theoretical calculation of the height of the barrier for OH rotation in hydroquinone Chemical Physics Letters. 241: 39-44. DOI: 10.1016/0009-2614(95)00606-5  0.396
1995 Love DE, Jordan KD. Electron impact excitation of the singlet and triplet B1u π → π* states of ethylene near threshold Chemical Physics Letters. 235: 479-483. DOI: 10.1016/0009-2614(95)00149-X  0.343
1995 Nachtigall P, Jordan KD. Barriers for hydrogen atom diffusion on the Si(100)-2x1 surface The Journal of Chemical Physics. 102: 8249-8254.  0.476
1994 Nachtigall P, Jordan KD, Sosa C. Theoretical study of the mechanism of recombinative hydrogen desorption from the monohydride phase of Si(100): The role of defect migration The Journal of Chemical Physics. 101: 8073-8081. DOI: 10.1063/1.468233  0.631
1994 Nachtigall P, Jordan KD. Comment on ‘‘Temperature programmed desorption of molecular hydrogen from a Si(100)‐2×1 surface: Theory and experiment’’ [J. Chem. Phys. 99, 7038 (1993)] The Journal of Chemical Physics. 101: 2648-2649. DOI: 10.1063/1.467642  0.482
1994 Kim K, Jordan KD, Zwier TS. Low-energy structures and vibrational frequencies of the water hexamer: Comparison with benzene-(H2O)6 Journal of the American Chemical Society. 116: 11568-11569. DOI: 10.1021/Ja00104A047  0.338
1994 Kim K, Jordan KD, Paddon-Row MN. 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.+,.pi.- Splittings The Journal of Physical Chemistry. 98: 11053-11058. DOI: 10.1021/J100094A012  0.314
1994 Kim K, Jordan KD. Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer The Journal of Physical Chemistry. 98: 10089-10094. DOI: 10.1021/J100091A024  0.359
1994 Kim K, Jordan K. Theoretical calculation of the height of the barrier for OH rotation in phenol Chemical Physics Letters. 218: 261-269. DOI: 10.1016/0009-2614(93)E1482-V  0.318
1993 Pearl DM, Burrow PD, Nash JJ, Morrison H, Jordan KD. Dissociative attachment as a probe of intramolecular electron transfer Journal of the American Chemical Society. 115: 9876-9877. DOI: 10.1021/Ja00074A095  0.301
1993 Nash JJ, Carlson DV, Kasper AM, Love DE, Jordan KD, Morrison H. Organic photochemistry. 99. .pi.*/.sigma.* 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: 8969-8979. DOI: 10.1021/Ja00073A011  0.351
1993 Paddon-Row MN, Shephard MJ, Jordan KD. A simple procedure for investigating the influence of a chromophore's orbital energies on electronic coupling through saturated hydrocarbon bridges Journal of the American Chemical Society. 115: 3312-3313. DOI: 10.1021/Ja00061A033  0.355
1993 Paddon-Row MN, Jordan KD. Analysis of the distance dependence and magnitude of the .pi.+,.pi.- and .pi.+*,.pi.-* splittings in a series of diethynyl[n]staffanes: an ab initio molecular orbital study Journal of the American Chemical Society. 115: 2952-2960. DOI: 10.1021/Ja00060A050  0.332
1993 Nachtigall P, Jordan KD. 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: 270-271. DOI: 10.1021/Ja00054A038  0.577
1993 Nachtigall P, Jordan KD, Sosa C. Ab initio calculation of the energy of recombinative hydrogen desorption from the monohydride phase of silicon (100) The Journal of Physical Chemistry. 97: 11666-11672. DOI: 10.1021/J100147A019  0.628
1993 Tsai CJ, Jordan KD. Use of an eigenmode method to locate the stationary points on the potential energy surfaces of selected argon and water clusters The Journal of Physical Chemistry. 97: 11227-11237. DOI: 10.1021/J100145A019  0.366
1993 Tsai CJ, Jordan KD. Theoretical study of small water clusters: low-energy fused cubic structures for (H2O)n, n = 8, 12, 16, and 20 The Journal of Physical Chemistry. 97: 5208-5210. DOI: 10.1021/J100122A005  0.398
1993 Shephard MJ, Paddon-Row MN, Jordan KD. Electronic coupling through saturated hydrocarbon bridges Chemical Physics. 176: 289-304. DOI: 10.1016/0301-0104(93)80241-Z  0.306
1993 Tsai C, Jordan K. Theoretical study of the (H2O)6 cluster Chemical Physics Letters. 213: 181-188. DOI: 10.1016/0009-2614(93)85438-T  0.376
1992 Nachtigall P, Dowd P, Jordan KD. Theoretical study of the low-lying triplet and singlet states of diradicals. 2. Cyclopentadienyltrimethylenemethane Journal of the American Chemical Society. 114: 4747-4752. DOI: 10.1021/Ja00038A043  0.565
1992 Nachtigall P, Jordan KD. Theoretical study of the low-lying triplet and singlet states of diradicals. 1. Tetramethyleneethane Journal of the American Chemical Society. 114: 4743-4747. DOI: 10.1021/Ja00038A042  0.615
1992 Jordan KD, Paddon-Row MN. Long-range interactions in a series of rigid nonconjugated dienes. 1. Distance dependence of the .pi.+,.pi.- and .pi.+*,.pi.-* splittings determined from ab initio calculations The Journal of Physical Chemistry. 96: 1188-1196. DOI: 10.1021/J100182A032  0.383
1992 Jordan KD, Paddon-Row MN. Analysis of the interactions responsible for long-range through-bond-mediated electronic coupling between remote chromophores attached to rigid polynorbornyl bridges Chemical Reviews. 92: 395-410. DOI: 10.1021/Cr00011A003  0.311
1991 Nachtigall P, Jordan KD, Janda KC. Calculation of the Si-H bond energies for the monohydride phase of Si(100) Journal of Chemical Physics. 95: 8652-8654. DOI: 10.1063/1.461245  0.617
1991 Falcetta MF, Jordan KD. 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: 7455-7461. DOI: 10.1021/Ja00020A001  0.37
1990 Johnson JR, Jordan KD, Plusquellic DF, Pratt DW. High resolution S1←S0 fluoescence excitation spectra of the 1- and 2-hydroxynaphthalenes. Distinguishing the cis and trans rotamers The Journal of Chemical Physics. 93: 2258-2273. DOI: 10.1063/1.459059  0.302
1990 Paddon-Row MN, Wong SS, Jordan KD. 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 1. 425-430. DOI: 10.1039/P29900000425  0.345
1990 Paddon-Row MN, Wong SS, Jordan KD. An ab initio SCF MO study of the electronic structure of 7-germanorbornadiene and 7-stannanorbornadiene: two molecules predicted to have an inverted sequence of π levels Journal of the Chemical Society-Perkin Transactions 1. 417-423. DOI: 10.1039/P29900000417  0.353
1990 Paddon-Row MN, Wong SS, Jordan KD. Ab initio SCF MO and natural bond orbital studies of 7-silanorbornadiene and 7,7-dimethyl-7-silanorbornadiene. Two molecules possessing an inverted sequence of .pi. orbitals Journal of the American Chemical Society. 112: 1710-1722. DOI: 10.1021/Ja00161A010  0.319
1990 Falcetta MF, Jordan KD. Assignments of the temporary anion states of the chloromethanes The Journal of Physical Chemistry. 94: 5666-5669. DOI: 10.1021/J100378A012  0.453
1990 Sunil K, Yates J, Jordan K. Theoretical study of the isomerization of cyanogen Chemical Physics Letters. 171: 185-190. DOI: 10.1016/0009-2614(90)85224-Z  0.383
1989 Choi Y, Jordan K. Electron transmission spectra of carbonyl fluoride: Determination of the vertical electron affinity Chemical Physics Letters. 156: 450-454. DOI: 10.1016/S0009-2614(89)87310-5  0.331
1988 Choi Y, Jordan KD, Paik YH, Chang W, Dowd P. Ab initio calculations of the geometries and IR spectra of two derivatives of tetramethyleneethane Journal of the American Chemical Society. 110: 7575-7576. DOI: 10.1021/Ja00230A068  0.349
1988 Sakai S, Gordon MS, Jordan KD. Potential energy surfaces for the reaction silicon + water The Journal of Physical Chemistry. 92: 7053-7057. DOI: 10.1021/J100336A006  0.38
1988 Sunil K, Jordan K. Theoretical study of the structure and stability of (NaCl)2+ Chemical Physics Letters. 143: 366-370. DOI: 10.1016/0009-2614(88)87048-9  0.364
1988 Sunil K, Jordan K. Theoretical study of the dipole moment, polarizability, and their derivatives for the CO molecule Chemical Physics Letters. 145: 377-381. DOI: 10.1016/0009-2614(88)80194-5  0.365
1987 Burrow PD, Michejda JA, Jordan KD. Electron transmission study of the temporary negative ion states of selected benzenoid and conjugated aromatic hydrocarbons The Journal of Chemical Physics. 86: 9-24. DOI: 10.1063/1.452598  0.41
1987 Balaji V, Ng L, Jordan KD, Paddon-Row MN, Patney HK. Study of long-range .pi.*,.pi.* interactions in rigid molecules by electron transmission spectroscopy Journal of the American Chemical Society. 109: 6957-6969. DOI: 10.1021/Ja00257A010  0.334
1987 Sunil KK, Jordan KD. Negative ion formation in alkali halide clusters The Journal of Physical Chemistry. 91: 1710-1711. DOI: 10.1021/J100291A008  0.301
1987 Simons J, Jordan KD. Ab initio electronic structure of anions Chemical Reviews. 87: 535-555. DOI: 10.1021/Cr00079A004  0.361
1987 Rama Krishna M, Jordan K. An extended-valence MC SCF procedure: determination of the dissociation energies of C2, N2, O2, and F2 Chemical Physics. 115: 405-421. DOI: 10.1016/0301-0104(87)80053-8  0.421
1987 Sperlein RF, Golde MF, Jordan KD. Ab initio study of electronic energy transfer in the quenching of CO*(a 3Π) by H2 Chemical Physics Letters. 142: 359-365. DOI: 10.1016/0009-2614(87)85123-0  0.404
1987 Balaji V, Sunil K, Jordan K. Theoretical investigation of the structure and stability of AlCO and Al(CO)2 and their cations Chemical Physics Letters. 136: 309-313. DOI: 10.1016/0009-2614(87)80257-9  0.32
1986 Jordan K. Electronic structure methods: comparison of ab initio quantum chemistry with experiment for small molecules. Science. 232: 1559-1560. PMID 17773507 DOI: 10.1126/Science.232.4757.1559-A  0.343
1986 Burrow P, Modelli A, Jordan K. Temporary anion states of the chlorobenzenes Chemical Physics Letters. 132: 441-447. DOI: 10.1016/0009-2614(86)80642-X  0.427
1986 Khan A, Jordan K. Theoretical potential energy curves and spectroscopic properties of the X2Σu+ and A2Σg+ states of He2+ Chemical Physics Letters. 128: 368-371. DOI: 10.1016/0009-2614(86)80379-7  0.372
1986 BALAJI V, JORDAN KD, GLEITER R, JAEHNE G, MUELLER G. ChemInform Abstract: Through-Bond Interactions in Nonconjugated Dienes and Diones (electron transmission spectroscopy). Chemischer Informationsdienst. 17. DOI: 10.1002/Chin.198613041  0.33
1985 Sunil KK, Jordan KD. Theoretical investigation of the low‐lying electronic states of Cu, Zn, and their ions The Journal of Chemical Physics. 82: 873-880. DOI: 10.1063/1.448515  0.346
1985 Burrow P, Modelli A, Guerra M, Jordan K. Electron transmission spectroscopy of dibenzene chromium: Characterization of the unfilled molecular orbitals Chemical Physics Letters. 118: 328-333. DOI: 10.1016/0009-2614(85)85325-2  0.367
1985 Balaji V, Jordan K. Electron transmission spectroscopy of triptycene: An investigation of the intramolecular orbital interactions Chemical Physics Letters. 119: 294-297. DOI: 10.1016/0009-2614(85)80420-6  0.365
1984 Sunil K, Orendt A, Jordan KD, Defrees D. Theoretical study of the vertical electron affinity and ionization potentials of C3 Chemical Physics. 89: 245-256. DOI: 10.1016/0301-0104(84)85313-6  0.466
1984 Sunil K, Jordan K, Shepard R. Application of the MC SCF method to the π → π* excitation energies of ethylene Chemical Physics. 88: 55-64. DOI: 10.1016/0301-0104(84)85103-4  0.434
1984 Gregory A, Sunil K, Jordan K. Theoretical study of the 12A″ (X2II) State of N2 O+: implications for isotopic scrambling Chemical Physics Letters. 108: 439-442. DOI: 10.1016/0009-2614(84)85175-1  0.393
1983 Sunil KK, Lin J, Siddiqui H, Siska PE, Jordan KD, Shepard R. 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 1S, 2 3S)+He scattering The Journal of Chemical Physics. 78: 6190-6202. DOI: 10.1063/1.444583  0.361
1983 Ng L, Balaji V, Jordan K. Measurement of the vertical electron affinities of cyanogen and 2,4-hexadiyne Chemical Physics Letters. 101: 171-176. DOI: 10.1016/0009-2614(83)87365-5  0.349
1983 HOUK KN, RONDAN NG, PADDON-ROW MN, JEFFORD CW, PHAN THANH HUY PTH, BURROW PD, JORDAN KD. ChemInform Abstract: IONIZATION POTENTIALS, ELECTRON AFFINITIES, AND MOLECULAR ORBITALS OF 2-SUBSTITUTED NORBORNADIENES. THEORY OF 1,2 AND HOMO-1,4 CARBENE CYCLOADDITION SELECTIVITIES Chemischer Informationsdienst. 14. DOI: 10.1002/Chin.198348081  0.347
1983 BALAJI V, JORDAN KD, BURROW PD, PADDON-ROW MN, PATNEY HK. ChemInform Abstract: EXPERIMENTAL OBSERVATIONS OF LARGE INTERACTIONS OF Π* ORBITALS THROUGH FOUR BONDS Chemischer Informationsdienst. 14. DOI: 10.1002/Chin.198309066  0.311
1982 Burrow PD, Modelli A, Chiu NS, Jordan KD. Temporary negative ions in the chloromethanes CHCl2F and CCl2F2: Characterization of the σ* orbitals The Journal of Chemical Physics. 77: 2699-2701. DOI: 10.1063/1.444103  0.369
1982 Balaji V, Jordan KD, Burrow PD, Paddon-Row MN, Patney HK. Experimental observations of large interactions of .pi.* orbitals through four bonds Journal of the American Chemical Society. 104: 6849-6851. DOI: 10.1021/Ja00388A094  0.302
1981 Kurtz HA, Jordan KD. Theoretical studies of positron-molecule complexes The Journal of Chemical Physics. 75: 1876-1887. DOI: 10.1063/1.442211  0.349
1981 Chiles RA, Dykstra CE, Jordan KD. Bonding in the Mg4 cluster. An example of chemical bonding originating from electron correlation effects The Journal of Chemical Physics. 75: 1044-1046. DOI: 10.1063/1.442054  0.418
1981 Kurtz HA, Jordan KD. Properties of the X 1Σ state of BF Chemical Physics Letters. 81: 104-109. DOI: 10.1016/0009-2614(81)85336-5  0.407
1981 Burrow P, Modelli A, Chiu N, Jordan K. temporary Σ and Π anions of the chloroethylenes and chlorofluoroethylenes Chemical Physics Letters. 82: 270-276. DOI: 10.1016/0009-2614(81)85154-8  0.392
1980 Yoshioka Y, Jordan KD. Many‐body perturbation theoretical studies of the dipole moments, polarizabilities, and electron affinities of LiF and BeO The Journal of Chemical Physics. 73: 5899-5901. DOI: 10.1063/1.440035  0.384
1980 Jordan KD, Simons J. Comment on the electronic structure of small beryllium and magnesium clusters and their anions The Journal of Chemical Physics. 72: 2889-2890. DOI: 10.1063/1.439396  0.4
1980 Kurtz HA, Jordan KD. Theoretical studies of positron complexes with atomic anions The Journal of Chemical Physics. 72: 493-503. DOI: 10.1063/1.438933  0.319
1980 Jordan KD, Burrow PD. Temporary negative ions of methyl-substituted ethylenes: trends in the electron affinities, ionization potentials, and excitation energies Journal of the American Chemical Society. 102: 6882-6883. DOI: 10.1021/Ja00542A053  0.355
1980 Jordan K, Burrow P. On the relationship between the gas phase, condensed phase and theoretical spectra of alternant hydrocarbon anions Chemical Physics. 45: 171-182. DOI: 10.1016/0301-0104(80)85064-6  0.376
1980 Jordan KD. Comment on ab initio ground state potential energy surfaces for anions of polar molecules Chemical Physics Letters. 69: 611-613. DOI: 10.1016/0009-2614(80)85140-2  0.382
1979 Jordan KD, Liebman JF. Binding of an electron to a molecular quadrupole: (BeO)2 Chemical Physics Letters. 62: 143-147. DOI: 10.1016/0009-2614(79)80430-3  0.426
1979 Chiu N, Burrow P, Jordan K. Temporary anions of the fluoroethylenes Chemical Physics Letters. 68: 121-126. DOI: 10.1016/0009-2614(79)80082-2  0.331
1979 Compton RN, Yoshioka Y, Jordan KD. Comment on semiemperical calculations of ?electron affinities Theoretica Chimica Acta. 54: 259-260. DOI: 10.1007/Bf00578345  0.38
1978 Shepard R, Jordan KD, Simons J. Electronic structure of small metal clusters. II. Anions of Li2, LiNa, and Na2 The Journal of Chemical Physics. 69: 1788-1789. DOI: 10.1063/1.436718  0.333
1978 Jordan KD, Simons J. Erratum: Electronic structure of small metal clusters. I. Anions of Be2, Be3, and Be4 The Journal of Chemical Physics. 69: 1324. DOI: 10.1063/1.436653  0.345
1978 Jordan KD, Burrow PD. Studies of the temporary anion states of unsaturated hydrocarbons by electron transmission spectroscopy Accounts of Chemical Research. 11: 341-348. DOI: 10.1021/Ar50129A004  0.337
1978 Jordan K, Seeger R. AB Initio study of the ground state anions of LiF, NaF, BeO and MgO Chemical Physics Letters. 54: 320-326. DOI: 10.1016/0009-2614(78)80110-9  0.416
1978 Kurtz HA, Jordan KD. Theoretical study of [F−; e+] and [CN−; e+] International Journal of Quantum Chemistry. 14: 747-755. DOI: 10.1002/Qua.560140607  0.333
1978 Seiders BAB, Luken WL, Jordan KD. Binding of an electron to a molecular dipole: BeF2? International Journal of Quantum Chemistry. 14: 741-746. DOI: 10.1002/Qua.560140606  0.405
1977 Dixon DA, Gole JL, Jordan KD. Abinitiostudy of the electronic structure of Li2 − The Journal of Chemical Physics. 66: 567-572. DOI: 10.1063/1.433978  0.314
1977 Jordan K, Wendoloski J. On the existence of negative ions of nonionic polar molecules: Studies of HF−, H2O−, HCN−, (HF)−2, H3NO− and CH3CN−* Chemical Physics. 21: 145-154. DOI: 10.1016/0301-0104(77)80009-8  0.393
1976 Jordan KD, Simons J. Theoretical studies of molecular ions: Be−2 The Journal of Chemical Physics. 65: 1601-1602. DOI: 10.1063/1.433223  0.407
1976 Jordan KD. Correlation between molecular electron affinities and dipole moments The Journal of Chemical Physics. 65: 1214-1215. DOI: 10.1063/1.433145  0.342
1976 Jordan KD, Luken W. Theoretical study of the binding of an electron to a molecular dipole: LiCl− The Journal of Chemical Physics. 64: 2760-2766. DOI: 10.1063/1.432599  0.421
1976 Jordan KD, Griffing KM, Kenney J, Andersen EL, Simons J. Theoretical study of stable negative ions of polar molecules: NaH−, LiH−, LiF−, BeO− The Journal of Chemical Physics. 64: 4730-4740. DOI: 10.1063/1.432059  0.397
1976 Chen T, Simons J, Jordan K. Analysis of the equation-of-motion theory of electron affinities and ionization potentials Chemical Physics. 14: 145-158. DOI: 10.1016/0301-0104(76)80033-X  0.313
1976 Jordan KD. On the structure of the LiH dimer and its negative ion Chemical Physics Letters. 40: 441-446. DOI: 10.1016/0009-2614(76)85115-9  0.36
1976 Jordan K, Michejda J, Burrow P. A study of the negative ion states of selected cyclodienes by electron transmission spectroscopy Chemical Physics Letters. 42: 227-231. DOI: 10.1016/0009-2614(76)80352-1  0.355
1975 Jordan KD. Construction of potential energy curves in avoided crossing situations Chemical Physics. 9: 199-204. DOI: 10.1016/0301-0104(75)80130-3  0.322
1975 Gelb A, Jordan K, Silbey R. The electronic structure of small clusters of sodium Chemical Physics. 9: 175-182. DOI: 10.1016/0301-0104(75)80127-3  0.598
1975 Jordan KD. Inclusion of doubly excited configurations in electron propagators Chemical Physics Letters. 36: 264-270. DOI: 10.1016/0009-2614(75)87030-8  0.337
1975 Burrow P, Jordan K. On the electron affinities of ethylene and 1,3-butadiene Chemical Physics Letters. 36: 594-598. DOI: 10.1016/0009-2614(75)85346-2  0.345
1975 Jordan KD. Continued fraction representations of the dipole moment function and the electronic transition moment function of diatomic molecules Chemical Physics Letters. 33: 340-343. DOI: 10.1016/0009-2614(75)80171-0  0.361
1974 Jordan KD, Kinsey JL, Silbey R. Use of Pade approximants in the construction of diabatic potential energy curves for ionic molecules The Journal of Chemical Physics. 61: 911-917. DOI: 10.1063/1.1682034  0.518
1973 Jordan KD, Silbey R. Comments on the use of unrestricted hartree—fock theory in orbital energy crossing Chemical Physics Letters. 18: 27-30. DOI: 10.1016/0009-2614(73)80330-6  0.53
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