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/

202 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
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  0.76
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  1
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  1
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  0.76
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  0.36
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  0.52
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  0.8
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  1
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  1
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  0.36
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  0.36
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  0.68
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  1
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  1
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  1
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  1
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  0.68
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  1
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  0.64
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  1
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  1
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  1
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  1
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  1
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  0.68
2014 Voora VK, Jordan KD. Nonvalence correlation-bound anion states of spherical fullerenes. Nano Letters. 14: 4602-6. PMID 24978808 DOI: 10.1021/nl5016574  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  0.8
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  0.68
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  0.88
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  0.8
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2009 Choi TH, Jordan KD. Potential energy landscape of the (H2 O)6 - cluster Chemical Physics Letters. 475: 293-297.  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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+  1
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  1
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  1
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  1
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  1
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  0.68
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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.  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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.  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2003 Liu H, Jordan KD. Finite temperature properties of (CO2)n clusters Journal of Physical Chemistry A. 107: 5703-5709. DOI: 10.1021/jp0345295  1
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  1
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.  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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.  1
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  1
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  1
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  1
2000 Feller D, Jordan KD. Estimating the strength of the water/single-layer graphite interaction Journal of Physical Chemistry A. 104: 9971-9975.  1
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.  1
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.  1
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.  1
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  1
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.  1
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.  1
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  1
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  1
1998 Pedulla JM, Jordan KD. Melting behavior of the (H2O)6 and (H2O)8 clusters Chemical Physics. 239: 593-601.  1
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.  1
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.  1
1998 Sanov A, Lineberger WC, Jordan KD. Electronic structure of (CS2)2 - Journal of Physical Chemistry A. 102: 2509-2511.  1
1998 Gutowski M, Jordan KD, Skurski P. Electronic structure of dipole-bound anions Journal of Physical Chemistry A. 102: 2624-2633.  1
1998 Borowski P, Jordan KD, Nichols J, Nachtigall P. Investigation of a hybrid TCSCF-DFT procedure Theoretical Chemistry Accounts. 99: 135-140.  1
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.  1
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  1
1997 Gutowski M, Skurski P, Jordan KD, Simons J. Energies of dipole-bound anionic states International Journal of Quantum Chemistry. 64: 183-191.  1
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.  1
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.  1
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  1
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  1
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.  1
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.  1
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.  1
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.  1
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.  1
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.  1
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.  1
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  1
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  1
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.  1
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.  1
1995 Nash JJ, Zwier TS, Jordan KD. Mode-selective photoisomerization in 5-hydroxytropolone. II. Theory The Journal of Chemical Physics. 102: 5260-5270.  1
1995 Nachtigall P, Jordan KD. Barriers for hydrogen atom diffusion on the Si(100)-2x1 surface The Journal of Chemical Physics. 102: 8249-8254.  1
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.  1
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.  1
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.  1
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