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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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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  0.58
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  0.316
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  0.547
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  0.504
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  0.513
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  0.796
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  0.809
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  0.441
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  0.444
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  0.564
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  0.44
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  0.572
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  0.82
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  0.812
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  0.803
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  0.578
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  0.518
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  0.357
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  0.432
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  0.434
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  0.353
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  0.719
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  0.745
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  0.592
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  0.356
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  0.423
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  0.418
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  0.785
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  0.465
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  0.321
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  0.466
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  0.622
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  0.466
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  0.309
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  0.51
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  0.625
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  0.551
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  0.437
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  0.552
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  0.337
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  0.583
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  0.452
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+  0.625
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  0.778
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  0.757
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  0.657
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  0.308
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  0.813
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  0.68
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  0.381
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  0.302
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  0.703
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  0.654
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  0.611
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  0.388
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  0.68
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  0.323
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  0.415
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  0.596
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  0.482
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  0.411
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  0.706
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  0.631
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  0.412
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  0.342
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  0.36
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  0.576
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  0.564
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  0.614
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  0.3
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  0.371
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  0.465
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  0.36
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  0.381
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  0.332
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  0.336
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  0.312
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  0.597
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  0.336
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  0.36
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
Low-probability matches (unlikely to be authored by this person)
2021 Lietard A, Verlet JRR, Slimak S, Jordan KD. Temporary Anion Resonances of Pyrene: A 2D Photoelectron Imaging and Computational Study. The Journal of Physical Chemistry. A. PMID 34369146 DOI: 10.1021/acs.jpca.1c05586  0.296
2005 Christie RA, Jordan KD. N-body decomposition approach to the calculation of interaction energies of water clusters Structure and Bonding. 116: 27-41. DOI: 10.1007/430_003  0.295
2019 Jordan KD, Heßelmann A. Comment on “Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods” The Journal of Physical Chemistry C. 123: 10163-10165. DOI: 10.1021/Acs.Jpcc.9B02326  0.294
1981 Kurtz HA, Jordan KD. Theoretical study of low-energy electron and positron scattering on Be, Mg and Ca Journal of Physics B: Atomic and Molecular Physics. 14: 4361-4376. DOI: 10.1088/0022-3700/14/22/019  0.294
1988 Paddon-Row MN, Jordan KD. An ab initio M. O. study of 7-silanorbornadiene and 7,7-dimethyl-7-silanorbornadiene; examples of norbornadienes in which the π orbitals interact largely through-bonds rather than through-space Journal of the Chemical Society, Chemical Communications. 1508-1510. DOI: 10.1039/C39880001508  0.293
2003 Wang F, Jordan KD. Parallel-tempering Monte Carlo simulations of the finite temperature behavior of (H2O)6 - Journal of Chemical Physics. 119: 11645-11653. DOI: 10.1063/1.1624597  0.291
1984 Sunil K, Jordan K. Theoretical study of the 2Σu+ and 2Σg+ states of Li2− and Na2− Chemical Physics Letters. 104: 343-347. DOI: 10.1016/0009-2614(84)80076-7  0.291
1993 Paddon-Row MN, Shephard MJ, Jordan KD. Predicted weak distance dependence of through-bond mediated electronic coupling in n-alkane bridges: an ab initio molecular orbital study The Journal of Physical Chemistry. 97: 1743-1745. DOI: 10.1021/J100111A006  0.291
1992 Nash JJ, Dowd P, Jordan KD. 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: 10071-10072. DOI: 10.1021/Ja00051A055  0.29
1988 Ishii I, McLaren R, Hitchcock AP, Jordan KD, Choi Y, Robin MB. The σ* molecular orbitals of perfluoroalkanes as studied by inner-shell electron energy loss and electron transmission spectroscopies Canadian Journal of Chemistry. 66: 2104-2121. DOI: 10.1139/V88-336  0.29
1980 Kurtz HA, Jordan KD. Comment on the electronic structure of HAlOH and H2O.Al Journal of the American Chemical Society. 102: 1177-1178. DOI: 10.1021/Ja00523A052  0.289
1982 Jordan KD, Simons J. On the lowest sigma and pi anion states of Be2 and Be3 The Journal of Chemical Physics. 77: 5250-5252. DOI: 10.1063/1.443669  0.289
2013 Myshakin EM, Saidi WA, Romanov VN, Cygan RT, Jordan KD. Molecular dynamics simulations of carbon dioxide intercalation in hydrated Na-montmorillonite Journal of Physical Chemistry C. 117: 11028-11039. DOI: 10.1021/Jp312589S  0.288
2008 Jiang H, Myshakin EM, Jordan KD, Warzinski RP. Molecular dynamics simulations of the thermal conductivity of methane hydrate. The Journal of Physical Chemistry. B. 112: 10207-16. PMID 18652505 DOI: 10.1021/Jp802942V  0.288
1987 Jordan KD, Burrow PD. Temporary anion states of polyatomic hydrocarbons Chemical Reviews. 87: 557-588. DOI: 10.1021/Cr00079A005  0.287
2006 Suzuki T, Sorescu DC, Jordan KD, Levy J, Yates JT. The chemisorption of coronene on Si(001)-2 x 1. The Journal of Chemical Physics. 124: 054701. PMID 16468895 DOI: 10.1063/1.2161195  0.287
1976 Jordan KD, Michejda JA, Burrow PD. Electron transmission studies of the negative ion states of substituted benzenes in the gas phase Journal of the American Chemical Society. 98: 7189-7191. DOI: 10.1021/Ja00439A014  0.286
1982 Ng L, Jordan KD, Krebs A, Rueger W. Electron transmission study of the splitting of the .pi.* molecular orbitals of angle-strained cyclic acetylenes: implications for the electrophilicity of alkynes Journal of the American Chemical Society. 104: 7414-7416. DOI: 10.1021/Ja00390A005  0.286
1996 Frost RK, Hagemeister FC, Arrington CA, Zwier TS, Jordan KD. Fluorescence‐dip infrared spectroscopy of tropolone and tropolone‐OD Journal of Chemical Physics. 105: 2595-2604. DOI: 10.1063/1.472119  0.285
2010 Kauffman DR, Sorescu DC, Schofield DP, Allen BL, Jordan KD, Star A. Understanding the sensor response of metal-decorated carbon nanotubes. Nano Letters. 10: 958-63. PMID 20155969 DOI: 10.1021/Nl903888C  0.284
2007 Jiang H, Jordan KD, Taylor CE. Molecular dynamics simulations of methane hydrate using polarizable force fields. The Journal of Physical Chemistry. B. 111: 6486-92. PMID 17511493 DOI: 10.1021/Jp068505K  0.284
1978 Kurtz HA, Jordan KD. Ab initio study of the positron affinity of LiH Journal of Physics B: Atomic and Molecular Physics. 11. DOI: 10.1088/0022-3700/11/16/001  0.282
1979 Jordan KD, Burrow PD. Comment on the negative ion states of fluorobenzenes The Journal of Chemical Physics. 71: 5384. DOI: 10.1063/1.438324  0.282
2010 Jiang H, Jordan KD. Comparison of the properties of xenon, methane, and carbon dioxide hydrates from equilibrium and nonequilibrium molecular dynamics simulations Journal of Physical Chemistry C. 114: 5555-5564. DOI: 10.1021/Jp9063406  0.28
2009 Jordan KD. Applications of analytic continuation in the construction of potential energy curves International Journal of Quantum Chemistry. 9: 325-336. DOI: 10.1002/Qua.560090841  0.28
1986 HOUK KN, SCOTT LT, RONDAN NG, SPELLMEYER DC, REINHARDT G, HYUN JL, DECICCO GJ, WEISS R, CHEN MHM, BASS LS, CLARDY J, JOERGENSEN FS, EATON TA, SARKOZI V, PETIT CM, ... ... JORDAN KD, et al. ChemInform Abstract: Cyclynes. Part 5. Pericyclynes: "Exploded Cycloalkanes" with Unusual Orbital Interactions and Conformational Properties. Chemischer Informationsdienst. 17. DOI: 10.1002/Chin.198610173  0.28
1986 Sakai S, Jordan KD. Structures and vibrational frequencies of HBeOH, HBOH, HCOH, HMgOH, HAlOH, and HSiOH Chemical Physics Letters. 130: 103-110. DOI: 10.1016/0009-2614(86)80434-1  0.277
1983 Blickensderfer RP, Sunil KK, Jordan KD. 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: 1488-1490. DOI: 10.1021/J100232A007  0.276
1999 Blanton WB, Gordon-Wylie SW, Clark GR, Jordan KD, Wood JT, Geiser U, Collins TJ. Synthesis and crystallographic characterization of an octameric water complex, (H2O)8 [12] Journal of the American Chemical Society. 121: 3551-3552. DOI: 10.1021/Ja982100Z  0.276
1982 Sakai S, Jordan KD. Ab initio study of the structure and vibrational frequencies of the Grignard reagent methylmagnesium chloride Journal of the American Chemical Society. 104: 4019-4021. DOI: 10.1021/Ja00378A047  0.272
1989 Sunil K, Jordan K. Theoretical study of the NaClNaCl− ↔ ClNaNaCl− interconversion Chemical Physics Letters. 164: 509-513. DOI: 10.1016/0009-2614(89)85247-9  0.269
2010 Krebs A, Rüger W, Ng L, Jordan KD. Electron Transmission Study of the Splitting of the π* MO's of Angle-strained Cyclic Acetylenes: Implications for the Electrophilicity of Alkynes Bulletin Des SociéTéS Chimiques Belges. 91: 363-363. DOI: 10.1002/Bscb.19820910522  0.268
1983 Houk KN, Rondan NG, Paddon-Row MN, Jefford CW, Huy PT, Burrow PD, Jordan KD. 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: 5563-5569. DOI: 10.1021/Ja00355A006  0.268
2014 Myshakin EM, Makaremi M, Romanov VN, Jordan KD, Guthrie GD. Molecular dynamics simulations of turbostratic dry and hydrated montmorillonite with intercalated carbon dioxide. The Journal of Physical Chemistry. A. 118: 7454-68. PMID 24745358 DOI: 10.1021/Jp500221W  0.268
1979 Jordan KD. Negative ion states of polar molecules Accounts of Chemical Research. 12: 36-42. DOI: 10.1021/Ar50133A006  0.267
1982 BURROW PD, JORDAN KD. ChemInform Abstract: ELECTRON TRANSMISSION SPECTROSCOPY OF 1,3,5-HEXATRIENE: ISOMERIC DIFFERENCES IN Π ORBITAL ENERGIES Chemischer Informationsdienst. 13. DOI: 10.1002/chin.198252044  0.266
1981 Yoshioka Y, Jordan K. Stabilities and structures of the Li-CO2 and Na-CO2 complexes Chemical Physics Letters. 84: 370-374. DOI: 10.1016/0009-2614(81)80366-1  0.266
1986 Sunil K, Jordan K. On the size of the 4s orbital of the copper atom Chemical Physics Letters. 128: 363-367. DOI: 10.1016/0009-2614(86)80378-5  0.266
1985 Balaji V, Jordan KD, Gleiter R, Jaehne G, Mueller G. Through-bond interactions in nonconjugated dienes and diones Journal of the American Chemical Society. 107: 7321-7323. DOI: 10.1021/Ja00311A018  0.264
2009 Myshakin EM, Jiang H, Warzinski RP, Jordan KD. Molecular dynamics simulations of methane hydrate decomposition. The Journal of Physical Chemistry. A. 113: 1913-21. PMID 19128002 DOI: 10.1021/Jp807208Z  0.262
1990 Falcetta MF, Jordan KD, McMurry JE, Paddon-Row MN. Through-Bond and Through-Space Interactions in a Series of Cyclic Polyenes Journal of the American Chemical Society. 112: 579-586. DOI: 10.1021/Ja00158A014  0.261
1982 Burrow PD, Ashe AJ, Bellville DJ, Jordan KD. Temporary anion states of phosphabenzene, arsabenzene, and stibabenzene. Trends in the π and π* orbital energies Journal of the American Chemical Society. 104: 425-429.  0.258
1982 Burrow PD, Jordan KD. Electron transmission spectroscopy of 1,3,5-hexatriene: isomeric differences in .pi. orbital energies Journal of the American Chemical Society. 104: 5247-5248. DOI: 10.1021/JA00383A051  0.258
1976 Burrow PD, Michejda JA, Jordan KD. Experimental study of the negative ion states of styrene. A test of the pairing theorem Journal of the American Chemical Society. 98: 6392-6393. DOI: 10.1021/Ja00436A059  0.257
2023 Falcetta MF, Fair MC, Slimak SR, Jordan KD, Sommerfeld T. Use of bound state methods to calculate partial and total widths of shape resonances. Physical Chemistry Chemical Physics : Pccp. PMID 37938910 DOI: 10.1039/d3cp04154a  0.254
1985 JORDAN KD, BURROW PD. ChemInform Abstract: Temporary Negative Ion States in Hydrocarbons and Their Derivatives Chemischer Informationsdienst. 16. DOI: 10.1002/Chin.198511362  0.252
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  0.252
1989 Maxwell BD, Nash JJ, Morrison HA, Falcetta ML, Jordan KD. Photochemical activation of distal functional groups in polyfunctional molecules. Activation of a .beta. carbon-chlorine bond by the trimethylsilyl enol ether chromophore via (.pi.* + .sigma.*) LUMO mixing Journal of the American Chemical Society. 111: 7914-7920. DOI: 10.1021/Ja00202A036  0.25
1994 Shephard MJ, Paddon-Row MN, Jordan KD. 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: 5328-5333. DOI: 10.1021/Ja00091A043  0.249
1982 Paddon-Row MN, Rondan NG, Houk KN, Jordan KD. Geometrics of the radical anions of ethylene, fluoroethylene, 1,1-difluoroethylene, and tetrafluoroethylene Journal of the American Chemical Society. 104: 1143-1145. DOI: 10.1021/Ja00368A060  0.246
2010 FALCETTA MF, JORDAN KD. ChemInform Abstract: Electron Energy Loss Studies of Vibrational and Electronic Excitation Processes in 1,3-Butadiene: The Role of Core-Excited Anion States. Cheminform. 23: no-no. DOI: 10.1002/CHIN.199201040  0.246
1984 Jordan KD. Theoretical investigation of lithium and sodium complexes with carbon dioxide The Journal of Physical Chemistry. 88: 2459-2465. DOI: 10.1021/J150656A009  0.24
1983 Sakai S, Jordan KD. 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: 2293-2295. DOI: 10.1021/J100236A011  0.239
1982 Burrow PD, Ashe AJ, Bellville DJ, Jordan KD. Temporary anion states of phosphabenzene, arsabenzene, and stibabenzene. Trends in the .pi. and .pi.* orbital energies Journal of the American Chemical Society. 104: 425-429. DOI: 10.1021/ja00366a009  0.236
2015 Deible MJ, Kessler M, Gasperich KE, Jordan KD. Quantum Monte Carlo calculation of the binding energy of the beryllium dimer Journal of Chemical Physics. 143. DOI: 10.1063/1.4929351  0.236
1975 Griffing KM, Kenney J, Simons J, Jordan KD. Theoretical predictions of stable negative ions: HF−, LiH−, NaH− The Journal of Chemical Physics. 63: 4073. DOI: 10.1063/1.431850  0.235
1995 Post AJ, Nash JJ, Love DE, Jordan KD, Morrison H. Organic Photochemistry. 107. Photochemical Activation of Distal Functional Groups in Polyfunctional Molecules. Photochemistry and Photophysics of the syn-7- and anti-7-Chlorobenzonorbornenes Journal of the American Chemical Society. 117: 4930-4935. DOI: 10.1021/Ja00122A025  0.235
2021 Henderson EV, Jordan KD. Two-Dimensional Adiabatic Model for Calculating Progressions Resulting from Stretch-Rock Coupling in Vibrational Spectra of Anion-Water Complexes. The Journal of Physical Chemistry Letters. 12: 6326-6329. PMID 34228473 DOI: 10.1021/acs.jpclett.1c01625  0.231
2010 JORDAN KD, PADDON-ROW MN. ChemInform Abstract: Long-Range Interactions in a Series of Rigid Nonconjugated Dienes. Part 1. Distance Dependence of the π+,π- and π+*,π-* Splittings Determined by ab initio Calculations. Cheminform. 23: no-no. DOI: 10.1002/CHIN.199221035  0.229
1982 Blickensderfer RP, Jordan KD, Adams N, Breckenridge WH. 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: 1930-1932. DOI: 10.1021/J100208A004  0.229
2021 Slimak SR, Jordan KD, Falcetta MF. Role of Overlap between the Discrete State and Pseudocontinuum States in Stabilization Calculations of Metastable States. The Journal of Physical Chemistry. A. 125: 4401-4408. PMID 34009997 DOI: 10.1021/acs.jpca.1c02699  0.227
1988 Ahern AM, Garrell RL, Jordan KD. Theoretical investigation of the normal-mode vibrational frequencies and intensities of ethylene Journal of Physical Chemistry. 92: 6228-6232. DOI: 10.1021/J100333A012  0.227
1981 Yoshioka Y, Jordan K. Polarizabilities, dipole moments and electron affinities of LiF and BeO Chemical Physics. 56: 303-320. DOI: 10.1016/0301-0104(81)80152-8  0.225
1978 JORDAN KD, SIMONS J. ChemInform Abstract: ELECTRONIC STRUCTURE OF SMALL METAL CLUSTERS. I. ANIONS OF DIATOMIC, TRIATOMIC, AND TETRAATOMIC BERYLLIUM Chemischer Informationsdienst. 9. DOI: 10.1002/CHIN.197808003  0.223
1979 Blickensderfer R, Jordan K. Ab initio studies of the electronic structures of LiOH− and Li2O− Chemical Physics. 41: 193-199. DOI: 10.1016/0301-0104(79)80143-3  0.22
1986 MORRISON H, SINGH TV, DE CARDENAS L, SEVERANCE D, JORDAN K, SCHAEFER W. ChemInform Abstract: (π* + σ*) Molecular Orbital Mixing in β-Chloro Ketones and β-Chloro Olefins. Chemischer Informationsdienst. 17. DOI: 10.1002/Chin.198642066  0.218
2021 Morales-Silva MA, Jordan KD, Shulenburger L, Wagner LK. Frontiers of stochastic electronic structure calculations. The Journal of Chemical Physics. 154: 170401. PMID 34241059 DOI: 10.1063/5.0053674  0.217
1988 BALAJI V, NG L, JORDAN KD, PADDON-ROW MN, PATNEY HK. ChemInform Abstract: Long-Range π*,π* Interactions in Rigid Molecules Using Electron Transmission Spectroscopy. Cheminform. 19. DOI: 10.1002/CHIN.198810043  0.216
1976 Jordan KD, Michejda JA, Burrow PD. The relative stability of alkyl-substituted benzene anions in the gas phase Journal of the American Chemical Society. 98: 1295-1296. DOI: 10.1021/Ja00421A058  0.216
1985 Raghavachari K, Sunil KK, Jordan KD. Theoretical study of the bonding in CuH and Cu2 The Journal of Chemical Physics. 83: 4633-4640. DOI: 10.1063/1.449034  0.214
1998 Gutowski M, Jordan KD, Skurski P. Electronic Structure of Dipole-Bound Anions The Journal of Physical Chemistry A. 102: 2624-2633. DOI: 10.1021/JP980123U  0.212
2011 Lee J, Sorescu DC, Deng X, Jordan KD. Diffusion of CO 2 on the rutile TiO 2(110) surface Journal of Physical Chemistry Letters. 2: 3114-3117. DOI: 10.1021/Jz201339N  0.212
1990 PADDON-ROW MN, WONG SS, JORDAN KD. ChemInform Abstract: 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 Cheminform. 21. DOI: 10.1002/CHIN.199026262  0.209
1979 JORDAN KD, BURROW PD. ChemInform Abstract: STUDIES OF THE TEMPORARY ANION STATES OF UNSATURATED HYDROCARBONS BY ELECTRON TRANSMISSION SPECTROSCOPY Chemischer Informationsdienst. 10. DOI: 10.1002/chin.197903331  0.207
2001 Christie RA, Jordan KD. Theoretical investigation of the H3O+(H2O)4 cluster Journal of Physical Chemistry A. 105: 7551-7558. DOI: 10.1021/jp011241b  0.206
1979 Rossi AR, Jordan KD. Comment on the structure and stability of (CO2)−2 The Journal of Chemical Physics. 70: 4422-4424. DOI: 10.1063/1.438018  0.205
2021 Carlson BJ, Falcetta MF, Slimak SR, Jordan KD. A Fresh Look at the Role of the Coupling of a Discrete State with a Pseudocontinuum State in the Stabilization Method for Characterizing Metastable States. The Journal of Physical Chemistry Letters. 12: 1202-1206. PMID 33481599 DOI: 10.1021/acs.jpclett.0c03738  0.205
2005 Jones LL, Jordan KD, Stillings NA. Molecular visualization in chemistry education: The role of multidisciplinary collaboration Chemistry Education Research and Practice. 6: 136-149. DOI: 10.1039/B5Rp90005K  0.205
1989 CHOI Y, JORDAN KD, PAIK YH, CHANG W, DOWD P. ChemInform Abstract: Ab intio Calculations of the Geometries and IR Spectra of Two Derivatives of Tetramethyleneethane. Cheminform. 20. DOI: 10.1002/CHIN.198907122  0.204
1991 Falcetta MF, Jordan KD. Stabilization calculations on the .pi.* anion states of 1,4-cyclohexadiene: confirmation of the .pi.-* below .pi.+* orbital ordering Journal of the American Chemical Society. 113: 2903-2909. DOI: 10.1021/JA00008A018  0.204
1979 Kurtz HA, Jordan KD. A 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 and Molecular Physics. 12. DOI: 10.1088/0022-3700/12/15/007  0.201
1986 Morrison H, Singh TV, De Cardenas L, Severance D, Jordan K, Schaefer W. (.pi.* + .sigma.*) Molecular orbital mixing in .beta.-chloro ketones and .beta.-chloro olefins Journal of the American Chemical Society. 108: 3862-3863. DOI: 10.1021/Ja00273A069  0.2
2012 Schofield DP, Jordan KD. Determination of conformational preferences in biomolecule mimics with localized orbital coupled cluster methods Aip Conference Proceedings. 1504: 957-960. DOI: 10.1063/1.4771855  0.2
1990 PADDON-ROW MN, WONG SS, JORDAN KD. ChemInform Abstract: 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 π Orbitals. Cheminform. 21. DOI: 10.1002/CHIN.199023074  0.193
2020 Benali A, Gasperich K, Jordan KD, Applencourt T, Luo Y, Bennett MC, Krogel JT, Shulenburger L, Kent PRC, Loos PF, Scemama A, Caffarel M. Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond. The Journal of Chemical Physics. 153: 184111. PMID 33187421 DOI: 10.1063/5.0021036  0.189
1989 PADDON-ROW MN, JORDAN KD. ChemInform Abstract: Through-Bond and Through-Space Interactions in Unsaturated Hydrocarbons: Their Implications for Chemical Reactivity and Long-Range Electron Transfer Cheminform. 20. DOI: 10.1002/CHIN.198945394  0.187
1995 Forbes MDE, Ruberu SR, Nachtigallova D, Jordan KD, Barborak JC. Site-selective photochemistry in an alternating 2-norbornyl-CO copolymer: Importance of stereoelectronic effects Journal of the American Chemical Society. 117: 3946-3951. DOI: 10.1021/Ja00119A008  0.186
2003 Jung Y, Akinaga Y, Jordan KD, Gordon MS. 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: 268-273.  0.182
2011 Plusquellic DF, Pate BH, Jordan KD. Tribute to David W. Pratt. The Journal of Physical Chemistry. A. 115: 9329. PMID 21863877 DOI: 10.1021/Jp2036229  0.181
2010 JORDAN KD, PADDON-ROW MN. ChemInform Abstract: Analysis of the Interactions Responsible for Long-Range Through-Bond- Mediated Electronic Coupling Between Remote Chromophores Attached to Rigid Polynorbornyl Bridges Cheminform. 23: no-no. DOI: 10.1002/CHIN.199231312  0.178
1974 Dancz J, Jordan KD. Multiple projections of unrestricted Hartree‐Fock solutions in acetylene The Journal of Chemical Physics. 61: 2977-2978. DOI: 10.1063/1.1682442  0.178
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 Journal of Physical Chemistry. 99: 12379-12381.  0.172
1993 Tsai CJ, Jordan KD. 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 The Journal of Chemical Physics. 99: 6957-6970. DOI: 10.1063/1.465442  0.171
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 Journal of Chemical Physics. 104: 148-158.  0.167
1979 Seiders B, Luken W, Blickensderfer R, Jordan K. Theoretical study of the anions of BeF2 and MgF2 Chemical Physics. 39: 285-292. DOI: 10.1016/0301-0104(79)80149-4  0.166
1987 BURROW PD, MICHEJDA JA, JORDAN KD. ChemInform Abstract: Electron Transmission Study of the Temporary Negative Ion States of Selected Benzenoid and Conjugated Aromatic Hydrocarbons. Cheminform. 18. DOI: 10.1002/CHIN.198722032  0.165
1981 Yoshioka Y, Schaefer HF, Jordan KD. Theoretical investigation of the electron affinity of CO2 The Journal of Chemical Physics. 75: 1040-1041. DOI: 10.1063/1.442071  0.16
1975 Jordan KD. Padé approximants: An alternative analytic representation of the potential curves for diatomic molecules Journal of Molecular Spectroscopy. 56: 329-331. DOI: 10.1016/0022-2852(75)90243-X  0.158
1998 Pedulla JM, Jordan KD. Melting behavior of the (H2O)6 and (H2O)8 clusters Chemical Physics. 239: 593-601.  0.157
1983 NG L, JORDAN KD, KREBS A, RUEGER W. ChemInform Abstract: ELECTRON TRANSMISSION STUDY OF THE SPLITTING OF THE Π* MOLECULAR ORBITALS OF ANGLE-STRAINED CYCLIC ACETYLENES: IMPLICATIONS FOR THE ELECTROPHILICITY OF ALKYNES Chemischer Informationsdienst. 14. DOI: 10.1002/CHIN.198314048  0.156
1988 Sunil KK, Jordan KD. Determination of the energies and spectroscopic constants of the low-lying electronic states of aluminum dimers (Al2, Al2+, and Al2-) The Journal of Physical Chemistry. 92: 2774-2781. DOI: 10.1021/J100321A017  0.154
1990 FALCETTA MF, JORDAN KD. ChemInform Abstract: Assignments of the Temporary Anion States of the Chloromethanes Cheminform. 21. DOI: 10.1002/CHIN.199046063  0.149
1977 JORDAN KD, MICHEJDA JA, BURROW PD. ChemInform Abstract: ELECTRON TRANSMISSION STUDIES OF THE NEGATIVE ION STATES OF SUBSTITUTED BENZENES IN THE GAS PHASE Chemischer Informationsdienst. 8: no-no. DOI: 10.1002/CHIN.197706046  0.147
2014 Sorescu DC, Byrd EFC, 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: 4982-4994. DOI: 10.1021/ct5005615  0.145
2023 Mulvey DM, Jordan KD. Application of a Fluctuating Charge Polarization Model to Large Polyaromatic Hydrocarbons and Graphene Nanoflakes. The Journal of Physical Chemistry Letters. 7869-7875. PMID 37639228 DOI: 10.1021/acs.jpclett.3c02013  0.138
2007 Zhang D, Chippada U, Jordan K. Effect of the structural water on the mechanical properties of collagen-like microfibrils: a molecular dynamics Study. Annals of Biomedical Engineering. 35: 1216-30. PMID 17387615 DOI: 10.1007/S10439-007-9296-8  0.134
1985 Sunil KK, Jordan KD, Raghavachari K. The importance of f functions and 3d electron correlation effects in the bonding in diatomic copper (Cu2) The Journal of Physical Chemistry. 89: 457-459. DOI: 10.1021/J100249A017  0.131
1982 SAKAI S, JORDAN KD. ChemInform Abstract: AB INITIO STUDY OF THE STRUCTURE AND VIBRATIONAL FREQUENCIES OF THE GRIGNARD REAGENT METHYLMAGNESIUM CHLORIDE Chemischer Informationsdienst. 13. DOI: 10.1002/chin.198243071  0.13
2022 Han Y, Das P, He Y, Sorescu DC, Jordan KD, Rosi NL. Crystallographic Mapping and Tuning of Water Adsorption in Metal-Organic Frameworks Featuring Distinct Open Metal Sites. Journal of the American Chemical Society. PMID 36228180 DOI: 10.1021/jacs.2c08717  0.125
1997 Fredericks SV, Pedulla JM, Jordan KD, Zwier TS. OH stretch IR spectra of (H2O)3 and benzene-(H2O)3 Theoretical Chemistry Accounts. 96: 51-55.  0.125
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.  0.123
1988 Balaji V, Jordan KD. Interactions of beryllium and magnesium atoms with acetylene and ethylene The Journal of Physical Chemistry. 92: 3101-3105. DOI: 10.1021/J100322A019  0.123
1990 Chao JS, Falcetta MF, Jordan KD. Application of the stabilization method to the N−2(1 2Πg) and Mg−(1 2P) temporary anion states The Journal of Chemical Physics. 93: 1125-1135. DOI: 10.1063/1.459176  0.122
1976 BURROW PD, MICHEJDA JA, JORDAN KD. ChemInform Abstract: EXPERIMENTAL STUDY OF THE NEGATIVE ION STATES OF STYRENE. A TEST OF THE PAIRING THEOREM Chemischer Informationsdienst. 7. DOI: 10.1002/CHIN.197652040  0.114
2022 Kim MA, Sorescu DC, Amemiya S, Jordan KD, Liu H. Real-Time Modulation of Hydrogen Evolution Activity of Graphene Electrodes Using Mechanical Strain. Acs Applied Materials & Interfaces. PMID 35170299 DOI: 10.1021/acsami.1c21821  0.111
1992 Burrow PD, Howard AE, Johnston AR, Jordan KD. Temporary anion states of hydrogen cyanide, methyl cyanide, and methylene dicyanide, selected cyanoethylenes, benzonitrile, and tetracyanoquinodimethane The Journal of Physical Chemistry. 96: 7570-7578. DOI: 10.1021/J100198A017  0.103
1982 PADDON-ROW MN, RONDAN NG, HOUK KN, JORDAN KD. ChemInform Abstract: GEOMETRICS OF THE RADICAL ANIONS OF ETHYLENE, FLUOROETHYLENE, 1,1-DIFLUOROETHYLENE, AND TETRAFLUOROETHYLENE Chemischer Informationsdienst. 13. DOI: 10.1002/CHIN.198223075  0.102
1988 CHAO JS, JORDAN KD. ChemInform Abstract: Use of the Xα Method for the Characterization of Temporary Negative Ions of Benzene and Substituted Benzenes Cheminform. 19. DOI: 10.1002/CHIN.198806062  0.101
2010 BURROW PD, HOWARD AE, JOHNSTON AR, JORDAN KD. ChemInform Abstract: Temporary Anion States of HCN, CH3CN, CH2(CN)2, Selected Cyanoethylenes, Benzonitrile, and Tetracyanoquinodimethane Cheminform. 24: no-no. DOI: 10.1002/CHIN.199301107  0.101
1991 Tsai CJ, Jordan KD. Monte Carlo simulation of (H2O)8: Evidence for a low‐energy S4 structure and characterization of the solid ↔ liquid transition The Journal of Chemical Physics. 95: 3850-3853. DOI: 10.1063/1.460788  0.097
2022 Brzeski J, Jordan KD. On the formation of CHN ions in sprayed water microdroplets. Proceedings of the National Academy of Sciences of the United States of America. 119: e2208031119. PMID 36095206 DOI: 10.1073/pnas.2208031119  0.096
2013 Lee J, Sorescu DC, Deng X, Jordan KD. Water chain formation on TiO2(110) Journal of Physical Chemistry Letters. 4: 53-57. DOI: 10.1021/jz301727n  0.096
1978 Jordan K, Wendoloski J. Studies of the negative ions of polar molecules LiH-, NaH-, NaCl- Molecular Physics. 35: 223-240. DOI: 10.1080/00268977800100171  0.094
1995 Post AJ, Nash JJ, Love DE, Jordan KD, Morrison H. Photochemical activation of distal functional groups in polyfunctional molecules. Photochemistry and photophysics of the syn-7- and anti-7-chlorobenzonorbornenes Journal of the American Chemical Society. 117: 4930-4935.  0.089
1988 BALAJI V, JORDAN KD. ChemInform Abstract: Interactions of Be and Mg Atoms with C2H2 and C2H4 Cheminform. 19. DOI: 10.1002/CHIN.198838133  0.088
1980 YOSHIOKA Y, JORDAN KD. ChemInform Abstract: AB INITIO STUDY OF BIS(NITROGEN DIOXIDE)(1+) AND BIS(CARBON DIOXIDE)(1-) IONS Chemischer Informationsdienst. 11. DOI: 10.1002/CHIN.198028002  0.084
2002 Christie RA, Jordan KD. Finite temperature behavior of H+(H2O)6 and H+(H2O)8 Journal of Physical Chemistry B. 106: 8376-8381. DOI: 10.1021/jp0209042  0.082
1980 Yoshioka Y, Jordan KD. Ab initio study of bis(nitrogen dioxide)(1+) and bis(carbon dioxide)(1-) ions Journal of the American Chemical Society. 102: 2621-2626. DOI: 10.1021/ja00528a017  0.08
2005 Christie RA, Jordan KD. Monte Carlo simulations of the finite temperature properties of (H2O)6 Theory and Applications of Computational Chemistry. 995-1009. DOI: 10.1016/B978-044451719-7/50078-0  0.075
1987 Fleischman SH, Jordan KD. Theoretical study of the structures and stabilities of the carbon dioxide dimer ((CO2)2-) ions The Journal of Physical Chemistry. 91: 1300-1302. DOI: 10.1021/J100290A006  0.075
1987 Chao JSY, Jordan KD. Use of the X.alpha. method for the characterization of temporary negative ions of benzene and substituted benzenes The Journal of Physical Chemistry. 91: 5578-5582. DOI: 10.1021/J100306A017  0.072
1976 JORDAN KD, MICHEJDA JA, BURROW PD. ChemInform Abstract: THE RELATIVE STABILITY OF ALKYL-SUBSTITUTED BENZENE ANIONS IN THE GAS PHASE Chemischer Informationsdienst. 7: no-no. DOI: 10.1002/chin.197621065  0.065
1987 Rama Krishna M, Jordan K. Theoretical study of the energetics of the O3(X̃ 1A1) → O2(X 3Σ−g) + O(3P) dissociation process Chemical Physics. 115: 423-432. DOI: 10.1016/0301-0104(87)80054-X  0.063
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.  0.061
2005 Onda K, Bin L, Jin Z, Jordan KD, Jinlong Y, Petek H. Ultrafast photo-induced dynamics at H2O/TiO2(110) and CH3OH/TiO2(110) interfaces Iqec, International Quantum Electronics Conference Proceedings. 2005: 222-223. DOI: 10.1109/IQEC.2005.1560866  0.055
2015 Korosh T, Jordan KD, Wu JS, Yarlett N, Upmacis RK. Eicosapentaenoic Acid Modulates Trichomonas vaginalis Activity. The Journal of Eukaryotic Microbiology. PMID 26333486 DOI: 10.1111/jeu.12263  0.054
1995 Nash JJ, Zwier TS, Jordan KD. Mode-selective photoisomerization in 5-hydroxytropolone. II. Theory The Journal of Chemical Physics. 102: 5260-5270.  0.053
2013 Jordan KD, Upmacis RK. Mass spectrometric analysis of oxidized eicosapentaenoic Acid sodium salt. Lipid Insights. 6: 21-35. PMID 25278766 DOI: 10.4137/LPI.S10862  0.053
2014 Jordan KD, Masters KS, Hooker SA, Ruiz JM, Smith TW. An interpersonal approach to religiousness and spirituality: implications for health and well-being. Journal of Personality. 82: 418-31. PMID 24102448 DOI: 10.1111/Jopy.12072  0.045
2015 Sreelatha A, Bennett TL, Carpinone EM, O'Brien KM, Jordan KD, Burdette DL, Orth K, Starai VJ. Vibrio effector protein VopQ inhibits fusion of V-ATPase-containing membranes. Proceedings of the National Academy of Sciences of the United States of America. 112: 100-5. PMID 25453092 DOI: 10.1073/Pnas.1413764111  0.04
1998 Jordan KD, Mayer TG, Gatchel RJ. Should extended disability be an exclusion criterion for tertiary rehabilitation? Socioeconomic outcomes of early versus late functional restoration in compensation spinal disorders. Spine. 23: 2110-6; discussion 2. PMID 9794056 DOI: 10.1097/00007632-199810010-00014  0.037
1996 Frost RK, Hagemeister FC, Arrington CA, Zwier TS, Jordan KD. Fluorescence-dip infrared spectroscopy of tropolone and tropolone-OD Journal of Chemical Physics. 105: 2595-2604.  0.033
2015 Smith TW, Jordan KD. Interpersonal motives and social-evaluative threat: Effects of acceptance and status stressors on cardiovascular reactivity and salivary cortisol response. Psychophysiology. 52: 269-76. PMID 25134736 DOI: 10.1111/psyp.12318  0.033
2024 Araya S, Chang AH, Moss C, Gubara SM, Gebreyesus MT, Jordan K, Ruth KJ, Baltodano P, Patel SA. Contemporary Prophylactic Antibiotic Practices and Adjunct Therapies in Autologous Fat Grafting Procedures: A Survey of The Aesthetic Society Members. Aesthetic Surgery Journal. Open Forum. 6: ojae001. PMID 38333667 DOI: 10.1093/asjof/ojae001  0.027
2011 Jordan KD, Okifuji A. Anxiety disorders: differential diagnosis and their relationship to chronic pain. Journal of Pain & Palliative Care Pharmacotherapy. 25: 231-45. PMID 21882977 DOI: 10.3109/15360288.2011.596922  0.012
2018 Rode C, Sebby A, Jordan K. Perceptions of destination image and effects on college football fans: A case study of conference realignment Archives of Business Research. 6. DOI: 10.14738/ABR.610.5371  0.01
2015 Jordan KD, Williams PG, Smith TW. Interpersonal distinctions among hypochondriacal trait components: Styles, goals, vulnerabilities, and perceptions of health care providers Journal of Social and Clinical Psychology. 34: 459-475.  0.01
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