K. Jordan

发表

Use of an eigenmode method to locate the stationary points on the potential energy surfaces of selected argon and water clusters

C. J. Tsai, K. Jordan, 1993 .

Use of the histogram and jump‐walking methods for overcoming slow barrier crossing behavior in Monte Carlo simulations: Applications to the phase transitions in the (Ar)13 and (H2O)8 clusters

C. J. Tsai, K. Jordan, 1993 .

Wet Electrons at the H2O/TiO2(110) Surface

Jinlong Yang, K. Jordan, H. Petek, 2005, Science.

Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules

K. Jordan, N. Hammer, K. Diri, 2003 .

Ultrafast Interfacial Proton-Coupled Electron Transfer

Jinlong Yang, K. Jordan, H. Petek, 2006, Science.

Theoretical characterization of the (H2O)21 cluster: application of an n-body decomposition procedure.

Kenneth D Jordan, K. Jordan, Hanbin Liu, 2006, The journal of physical chemistry. B.

Erratum: “A second generation distributed point polarizable water model” [J. Chem. Phys.132, 014309 (2010)]

K. Jordan, Revati Kumar, Fangfang Wang, 2010 .

A second generation distributed point polarizable water model.

Kenneth D Jordan, Fang-Fang Wang, K. Jordan, 2010, The Journal of chemical physics.

Computational Insight Concerning Catalytic Decision Points of the Transition Metal Catalyzed [2 + 2 + 1] Cyclocarbonylation Reaction of Allenes.

Alexander S. Bayden, K. Jordan, K. Brummond, 2006, Organometallics.

Structure and stability of the (H2O)21 and (H2O)20 · (H2S) clusters: Relevance of cluster systems to gas hydrate formation

K. Jordan, Valerie N. McCarthy, 2006 .

Diffusion Monte Carlo Study of the Parallel Displaced Form of the Benzene Dimer

K. Jordan, Kevin Gasperich, 2016 .

Correcting density functionals for dispersion interactions using pseudopotentials

K. Jordan, O. Karalti, X. Su, 2014 .

Density functional theory study of pyrophyllite and M-montmorillonites (M = Li, Na, K, Mg, and Ca): role of dispersion interactions.

Vamsee K Voora, Vamsee K. Voora, K. Jordan, 2011, The journal of physical chemistry. A.

Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)2-, with vibrational and photoelectron spectroscopies.

Mark A. Johnson, Andrew F. DeBlase, K. Jordan, 2012, The Journal of chemical physics.

Electron Transfer Calculations

M. Paddon-Row, K. Jordan, 2002 .

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

M. Paddon-Row, K. Jordan, 1992 .

Predicted weak distance dependence of through-bond mediated electronic coupling in n-alkane bridges. An ab initio molecular orbital study

M. Paddon-Row, K. Jordan, M. Shephard, 1993 .

Infrared Spectroscopic Characterization of the Symmetrical Hydration Motif in the ·H2O Complex

Marvin Johnson, K. Jordan, W. Robertson, 2002 .

Infrared predissociation spectroscopy of I−⋅(CH3OH)n,n=1,2: Cooperativity in asymmetric solvation

Marvin Johnson, K. Jordan, W. Robertson, 2002 .

Isolating the Charge-Transfer Component of the Anionic H Bond Via Spin Suppression of the Intracluster Proton Transfer Reaction in the NO-·H2O Entrance Channel Complex†

Marvin Johnson, K. Jordan, W. Robertson, 2002 .

Binding energy of the ring form of (H2O)6: Comparison of the predictions of conventional and localized‐orbital MP2 calculations

Kenneth D. Jordan, Fernando D. Vila, K. Jordan, 1996 .

Melting behavior of the (H2O)6 and (H2O)8 clusters

K. Jordan, J. Pedulla, 1998 .

Low-Energy Structures and Vibrational Frequencies of the Water Hexamer: Comparison with Benzene-(H2O)6

K. Jordan, T. Zwier, Kyungsun Kim, 1994 .

Theoretical Characterization of the Structures and Vibrational Spectra of Benzene−(H2O)n (n = 1−3) Clusters

K. Jordan, T. Zwier, Sharon Yee Fredericks and, 1996 .

The σ* molecular orbitals of perfluoroalkanes as studied by inner-shell electron energy loss and electron transmission spectroscopies

K. Jordan, A. Hitchcock, M. Robin, 1988 .

An interatomic potential for mercury dimer

Lindsey J. Munro, K. Jordan, J. Johnson, 2001 .

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

M. Paddon-Row, K. Jordan, Stephen S. Wong, 1990 .

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.

M. Paddon-Row, K. Jordan, Stephen S. Wong, 1990 .

Ab initio electronic structure of anions

J. Simons, K. Jordan, 1987 .

Stabilization calculations on the .pi.* anion states of 1,4-cyclohexadiene: confirmation of the .pi.-* below .pi.+* orbital ordering

K. Jordan, M. Falcetta, 1991 .

Rearrangement pathways of the water trimer and tetramer anions

K. Jordan, D. Alfonso, 2002 .

Dominant structural motifs of NO−⋅(H2O)n complexes: Infrared spectroscopic and ab initio studies

Marvin Johnson, K. Jordan, W. Robertson, 2003 .

Application of a Drude model to the binding of excess electrons to water clusters

Feng Wang, Kenneth D. Jordan, K. Jordan, 2002 .

Benchmark Calculations of the Energies for Binding Excess Electrons to Water Clusters.

Vamsee K Voora, Vamsee K. Voora, K. Jordan, 2012, Journal of chemical theory and computation.

Potential energy landscape of the (H2O)6- cluster

Tae Hoon Choi, K. Jordan, 2009 .

Calculation of the photodetachment cross sections of the HCN- and HNC- dipole-bound anions as described by a one-electron Drude model.

K. Jordan, P. Jungwirth, V. Špirko, 2004, The Journal of chemical physics.

Parallel-tempering Monte Carlo simulations of the finite temperature behavior of (H2O)6−

K. Jordan, Feng Wang, 2003 .

ENERGIES OF DIPOLE-BOUND ANIONIC STATES

J. Simons, K. Jordan, M. Gutowski, 1997 .

Electronic Structure of Dipole-Bound Anions

K. Jordan, M. Gutowski, P. Skurski, 1998 .

Infrared spectroscopy of negatively charged water clusters: Evidence for a linear network

Marvin Johnson, K. Jordan, C. Bailey, 1999 .

A Drude-model approach to dispersion interactions in dipole-bound anions

K. Jordan, Feng Wang, 2001 .

Negative ion states of polar molecules

K. Jordan, 1979 .

Comparison of models with distributed polarizable sites for describing water clusters

K. Jordan, A. Defusco, Daniel P Schofield, 2007 .

Model systems for exploring electron correlation effects in the buckling of SiSi dimers on the Si(100) surface

K. Jordan, Daniel P Schofield, W. Lampart, 2008 .

Advances in the development , efficiency , and application of auxiliary field and real-space variational and diffusion Quantum

Rubenstein, Brenda, Joonho Lee, 2020 .

Current Status and Future Perspectives of Electron Interactions with Molecules , Clusters , Surfaces , and Interfaces

M. Head‐Gordon, J. Tennyson, W. Miller, 2000 .

Structures and vibrational frequencies of HBeOH, HBOH, HCOH, HMgOH, HAlOH, and HSiOH

K. Jordan, S. Sakai, 1986 .

Infrared Signature of Structures Associated with the H+(H2O)n (n = 6 to 27) Clusters.

Marvin Johnson, K. Jordan, N. Hammer, 2004 .

Electron Transmission Study of the Temporary Negative Ion States of Selected Benzenoid and Conjugated Aromatic Hydrocarbons.

K. Jordan, J. Michejda, P. Burrow, 1987 .

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond.

A. Scemama, M. Caffarel, Pierre-François Loos, 2020, The Journal of chemical physics.

Two-Dimensional Adiabatic Model for Calculating Progressions Resulting from Stretch-Rock Coupling in Vibrational Spectra of Anion-Water Complexes.

K. Jordan, E. Henderson, 2021, The journal of physical chemistry letters.

Investigation of a hybrid TCSCF-DFT procedure

K. Jordan, J. Nichols, P. Nachtigall, 1998 .

Theoretical study of the low-lying triplet and singlet states of diradicals: prediction of ground-state multiplicities in cyclic analogs of tetramethyleneethane

K. Jordan, John J Nash, P. Dowd, 1992 .

Crystallographic Mapping and Tuning of Water Adsorption in Metal-Organic Frameworks Featuring Distinct Open Metal Sites.

K. Jordan, D. Sorescu, Prasenjit Das, 2022, Journal of the American Chemical Society.

Stabilization calculations of the low-lying temporary anions states of Be, Mg, and Ca

K. Jordan, M. Falcetta, Nathan D. Reilly, 2017 .

On the formation of C5H5N− ions in sprayed water microdroplets

K. Jordan, J. Brzeski, 2022, Proceedings of the National Academy of Sciences of the United States of America.

Negative electron affinities from conventional electronic structure methods

Vamsee K Voora, Vamsee K. Voora, J. Simons, 2014, Theoretical Chemistry Accounts.

Non-Valence Anions of Pyridine and the Diazines.

K. Jordan, J. Brzeski, 2022, The journal of physical chemistry. A.

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.

K. Jordan, Arailym Kairalapova, 2020, The journal of physical chemistry. A.

Prediction of a Non-Valence Temporary Anion State of (NaCl)2.

K. Jordan, M. Falcetta, Arailym Kairalapova, 2019, The journal of physical chemistry. B.

Prediction of a Nonvalence Temporary Anion Shape Resonance for a Model (H2O)4 System.

K. Jordan, M. C. Fair, M. Falcetta, 2019, The journal of physical chemistry. A.

Theoretical approaches for treating non-valence correlation-bound anions.

Vamsee K Voora, Vamsee K. Voora, K. Jordan, 2017, The Journal of chemical physics.

Nonvalence correlation-bound anion state of C6F6: doorway to low-energy electron capture.

Vamsee K Voora, Vamsee K. Voora, K. Jordan, 2014, The journal of physical chemistry. A.

Existence of a Correlation Bound s-Type Anion State of C60.

Vamsee K Voora, Vamsee K. Voora, K. Jordan, 2013, The journal of physical chemistry letters.

Negative ions of ethylene sulfite.

K. Jordan, N. Hammer, K. Diri, 2005, The Journal of chemical physics.

Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles anharmonic couplings

K. Jordan, T. Zwier, E. Sibert, 2003 .

Resonant ion-dip infrared spectroscopy of benzene–(water)9: Expanding the cube

K. Jordan, T. Zwier, J. Carney, 2000 .

On the possible existence of a charge-separated (H3O+)4 (OH-)4 form of (H2O)8

K. Jordan, Sharon Y. Fredericks, S. Y. Fredericks, 1997 .

Theoretical studies of positron complexes with atomic anions

K. Jordan, H. Kurtz, 1980 .

15 – Structure of Alkali Halides: Theoretical Methods

K. Jordan, 1979 .

Temporary negative ions in the chloromethanes CHCl2F and CCl2F2: Characterization of the σ* orbitals

K. Jordan, P. Burrow, N. Chiu, 1982 .

Origin of the diffuse vibrational signature of a cyclic intramolecular proton bond: Anharmonic analysis of protonated 1,8-disubstituted naphthalene ions.

Mark A. Johnson, Andrew F. DeBlase, K. Jordan, 2013, The Journal of chemical physics.

Organic Photochemistry. 107. Photochemical Activation of Distal Functional Groups in Polyfunctional Molecules. Photochemistry and Photophysics of the syn-7- and anti-7-Chlorobenzonorbornenes

K. Jordan, H. Morrison, John J Nash, 1995 .

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

K. Jordan, H. Morrison, John J Nash, 1993 .

(.pi.* + .sigma.*) Molecular orbital mixing in .beta.-chloro ketones and .beta.-chloro olefins

K. Jordan, D. Severance, H. Morrison, 1986 .

Theoretical study of stable negative ions of polar molecules: NaH−, LiH−, LiF−, BeO−

J. Simons, K. Jordan, J. Kenney, 1976 .

Theoretical predictions of stable negative ions: HF−, LiH−, NaH−

J. Simons, K. Jordan, J. Kenney, 1975 .

Multiple projections of unrestricted Hartree‐Fock solutions in acetylene

K. Jordan, J. Dancz, 1974 .

Comments on the use of unrestricted hartree—fock theory in orbital energy crossing

R. Silbey, K. Jordan, 1973 .

Comment on the negative ion states of fluorobenzenes

K. Jordan, P. Burrow, 1979 .

Theoretical study of the bonding in CuH and Cu2

K. Raghavachari, K. Jordan, K. Sunil, 1985 .

Assessing the Performances of Dispersion-Corrected Density Functional Methods for Predicting the Crystallographic Properties of High Nitrogen Energetic Salts.

B. Rice, K. Jordan, E. Byrd, 2014, Journal of chemical theory and computation.

Hydroxyl chain formation on the Cu(110) surface: Watching water dissociation

K. Jordan, J. Yates, D. Sorescu, 2008 .

Padé approximants: An alternative analytic representation of the potential curves for diatomic molecules

K. Jordan, 1975 .

Ab Initio Investigation of the Temporary Anion States of Perfluoroethane

K. Jordan, Y. Choi, M. Falcetta, 2000 .

Assignments of the temporary anion states of the chloromethanes

K. Jordan, M. Falcetta, 1990 .

Theoretical study of the mechanism of recombinative hydrogen desorption from the monohydride phase of Si(100): The role of defect migration

K. Jordan, P. Nachtigall, C. Sosa, 1994 .

Comment on "Temperature programmed desorption of molecular hydrogen from a Si(lOO)-2x 1 surface: Theory and experiment" (J. Chem. Phys. 99, 7038 (1993))

K. Jordan, P. Nachtigall, 1994 .

Inclusion of doubly excited configurations in electron propagators

K. Jordan, 1975 .

Experimental observations of large interactions of .pi.* orbitals through four bonds

M. Paddon-Row, K. Jordan, P. Burrow, 1982 .

Perspective on “Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening σ bonds”

K. Jordan, 2000 .

Theoretical investigation of lithium and sodium complexes with carbon dioxide

K. Jordan, 1984 .

Comment on the structure and stability of (CO2)−2

K. Jordan, A. Rossi, 1979 .

Calculation of the vibrational spectra of H5O2(+) and its deuterium-substituted isotopologues by molecular dynamics simulations.

K. Jordan, J. Bowman, A. Kaledin, 2009, The journal of physical chemistry. A.

STUDIES OF THE TEMPORARY ANION STATES OF UNSATURATED HYDROCARBONS BY ELECTRON TRANSMISSION SPECTROSCOPY

Kenneth D. Jordan, K. Jordan, Paul Burrow, 1978 .

Role of Overlap between the Discrete State and Pseudocontinuum States in Stabilization Calculations of Metastable States.

K. Jordan, M. Falcetta, S. Slimak, 2021, The journal of physical chemistry. A.

Recent developments in electron‐molecule scattering

K. Jordan, 2009 .

On the relationship between the gas phase, condensed phase and theoretical spectra of alternant hydrocarbon anions

K. Jordan, P. Burrow, 1980 .

Electron transmission studies of the negative ion states of substituted benzenes in the gas phase

K. Jordan, J. Michejda, P. Burrow, 1976 .

Experimental study of the negative ion states of styrene. A test of the pairing theorem

K. Jordan, J. Michejda, P. Burrow, 1976 .

A study of the negative ion states of selected cyclodienes by electron transmission spectroscopy

K. Jordan, J. Michejda, P. Burrow, 1976 .

The relative stability of alkyl-substituted benzene anions in the gas phase

K. Jordan, J. Michejda, P. Burrow, 1976 .

On the electron affinities of ethylene and 1,3-butadiene

K. Jordan, P. Burrow, 1975 .

Q-GPU: A Recipe of Optimizations for Quantum Circuit Simulation Using GPUs

Jun Yang, Youtao Zhang, K. Jordan, 2022, 2022 IEEE International Symposium on High-Performance Computer Architecture (HPCA).

Properties of tetramethyleneethane (TME) as revealed by ion chemistry and ion photoelectron spectroscopy

Eileen P. Clifford, W. C. Lineberger, K. Jordan, 1998 .

Cyclynes. Part 5. Pericyclynes: "exploded cycloalkanes" with unusual orbital interactions and conformational properties. MM2 and STO-3G calculations, x-ray crystal structures, photoelectron spectra, and electron transmission spectra

D. Spellmeyer, K. Houk, J. Clardy, 1985 .

Vibrational Signatures of HNO3 Acidity When Complexed with Microhydrated Alkali Metal Ions, M+·(HNO3)(H2O)n=5 (M = Li, K, Na, Rb, Cs), at 20 K.

Tae Hoon Choi, Mark A. Johnson, K. Jordan, 2022, The journal of physical chemistry. A.

Strategy for creating rational fraction fits to stabilization graph data on metastable electronic states

J. Simons, K. Jordan, Kevin Gasperich, 2018, Chemical Physics.

Theoretical study of low-energy electron and positron scattering on Be, Mg and Ca

K. Jordan, H. Kurtz, 1981 .

Downsizing the Hydrated Electron's Lair

Mark A. Johnson, K. Jordan, 2010, Science.

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.

Mark A. Johnson, K. Jordan, J. Roscioli, 2008, The Journal of chemical physics.

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

M. Paddon-Row, K. Jordan, Stephen S. Wong, 1990 .

Calculation of the Si–H bond energies for the monohydride phase of Si(100)

K. Jordan, P. Nachtigall, K. Janda, 1991 .

Binding of an Electron by a Finite Fixed Dipole.

K. Jordan, S. Slimak, 2022, The journal of physical chemistry letters.

Multiphase Monte Carlo and Molecular Dynamics Simulations of Water and CO2 Intercalation in Montmorillonite and Beidellite

K. Jordan, G. Guthrie, Meysam Makaremi, 2015, 1801.01176.

Dispersion-Corrected Density Functional Theory and Classical Force Field Calculations of Water Loading on a Pyrophyllite(001) Surface

K. Jordan, Guozhen Zhang, E. Myshakin, 2012 .

Electron transmission studies of the negative ion states of substituted benzenes in the gas phase

K. Jordan, J. Michejda, P. Burrow, 1976 .

Temporary negative ions of methyl-substituted ethylenes: trends in the electron affinities, ionization potentials, and excitation energies

K. Jordan, P. Burrow, 1980 .

Temporary anion states of polyatomic hydrocarbons

Kenneth D. Jordan, K. Jordan, Paul Burrow, 1987 .

A Fresh Look at Electron Hydration

Kenneth D. Jordan, K. Jordan, 2004, Science.

Synthesis and Crystallographic Characterization of an Octameric Water Complex, (H2O)8

K. Jordan, T. J. Collins, S. Gordon-Wylie, 1999 .

Unraveling the Anomalous Solvatochromic Response of the Formate Ion Vibrational Spectrum: An Infrared, Ar-Tagging Study of the HCO2¯, DCO2¯, and HCO2¯·H2O Ions

Andrew F. DeBlase, K. Jordan, A. McCoy, 2011 .

Theoretical Study of the Adsorption of Acetylene on the Si(001) Surface

K. Jordan, D. Sorescu, 2000 .

Electron transmission study of the temporary negative ion states of selected benzenoid and conjugated aromatic hydrocarbons

K. Jordan, J. Michejda, P. Burrow, 1987 .

EXPERIMENTAL STUDY OF THE NEGATIVE ION STATES OF STYRENE. A TEST OF THE PAIRING THEOREM

K. Jordan, J. Michejda, P. Burrow, 1976 .

Studies of polymer photostabilization using fluorescence spectroscopy: photochemistry of naphthyl methacrylate copolymers

K. Jordan, A. Safarzadeh-Amiri, D. Holden, 1986 .

SITE-SELECTIVE PHOTOCHEMISTRY IN AN ALTERNATING 2-NORBORNYL-CO COPOLYMER :IMPORTANCE OF STEREOELECTRONIC EFFECTS

K. Jordan, D. Nachtigallová, M. Forbes, 1995 .

Ionization potentials, electron affinities, and molecular orbitals of 2-substituted norbornadienes: theory of 1,2 and homo-1,4 carbene cycloaddition selectivities

M. Paddon-Row, K. Houk, K. Jordan, 1983 .

Interactions of beryllium and magnesium atoms with acetylene and ethylene

K. Jordan, V. Balaji, 1988 .

Electron transmission study of the splitting of the .pi.* molecular orbitals of angle-strained cyclic acetylenes: implications for the electrophilicity of alkynes

K. Jordan, L. Ng, A. Krebs, 1982 .

Analysis of the interactions responsible for long-range through-bond-mediated electronic coupling between remote chromophores attached to rigid polynorbornyl bridges

M. Paddon-Row, K. Jordan, 1992 .

Temporary anion states of phosphabenzene, arsabenzene, and stibabenzene. Trends in the .pi. and .pi.* orbital energies

Kenneth D. Jordan, K. Jordan, Paul Burrow, 1982 .

Quantum Drude oscillator model for describing the interaction of excess electrons with water clusters: an application to (H2O)13(-).

K. Jordan, T. Sommerfeld, 2005, The journal of physical chemistry. A.

Temporary anion states of hydrogen cyanide, methyl cyanide, and methylene dicyanide, selected cyanoethylenes, benzonitrile, and tetracyanoquinodimethane

K. Jordan, P. Burrow, A. E. Howard, 1992 .

Theoretical Study of the Dipole-Bound Excited States of I-(H2O)4

K. Jordan, F. Vila, 2002 .

Electron binding motifs of (H2O)n- clusters.

K. Jordan, T. Sommerfeld, 2006, Journal of the American Chemical Society.

Theory of dipole-bound anions.

K. Jordan, Feng Wang, 2003, Annual review of physical chemistry.

On the existence of negative ions of nonionic polar molecules: Studies of HF−, H2O−, HCN−, (HF)−2, H3NO− and CH3CN−*

J. Wendoloski, K. Jordan, 1977 .

Laser-Initiated Shuttling of a Water Molecule Between H-Bonding Sites

K. Jordan, T. Zwier, V. Shubert, 2005, Science.

Use of the X.alpha. method for the characterization of temporary negative ions of benzene and substituted benzenes

K. Jordan, J. S. Chao, 1987 .

Theoretical and infrared spectroscopic investigation of the O(2) (-).benzene and O(4) (-).benzene complexes.

Mark A. Johnson, K. Jordan, H. Schneider, 2007, The Journal of chemical physics.

One-Dimensional Adiabatic Model Approach for Calculating Progressions in Vibrational Spectra of Ion-Water Complexes.

K. Jordan, Bryan V Henderson, 2019, The journal of physical chemistry. A.

Vibrational spectroscopy of the water-nitrate complex in the O-H stretching region.

Eric G. Kratz, K. Jordan, K. Asmis, 2014, The journal of physical chemistry. A.

Theoretical study of the structures and stabilities of the carbon dioxide dimer ((CO2)2-) ions

K. Jordan, S. Fleischman, 1987 .

Role of water in electron-initiated processes and radical chemistry: issues and scientific advances.

Timothy S Zwier, Michel Dupuis, B. D. Kay, 2005, Chemical reviews.

Molecular-level origin of the carboxylate head group response to divalent metal ion complexation at the air–water interface

Tae Hoon Choi, Mark A. Johnson, H. Allen, 2019, Proceedings of the National Academy of Sciences.

Infrared Spectrum of a Molecular Ice Cube: The S4 and D2d Water Octamers in Benzene-(Water)8

K. Jordan, T. Zwier, J. Carney, 1997 .

Spectral Signatures of Hydrated Proton Vibrations in Water Clusters

Evgeniy M. Myshakin, Jeffrey M. Headrick, Kenneth D. Jordan, 2005, Science.

Infrared Signature of Structures Associated with the H+(H2O)n (n = 6 to 27) Clusters

K. Jordan, N. Hammer, M. Duncan, 2004, Science.

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.

Mark A. Johnson, K. Jordan, S. Xantheas, 2015, The journal of physical chemistry. A.

Molecular dynamics simulations of turbostratic dry and hydrated montmorillonite with intercalated carbon dioxide.

K. Jordan, G. Guthrie, V. Romanov, 2014, The journal of physical chemistry. A.

Molecular Dynamics Simulations of Carbon Dioxide Intercalation in Hydrated Na-Montmorillonite

K. Jordan, R. Cygan, V. Romanov, 2013 .

Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer

Kenneth D. Jordan, K. Jordan, K. Kim, 1994 .

Water network-mediated, electron-induced proton transfer in [C5H5N ⋅ (H2O)n](-) clusters.

Mark A. Johnson, Gregory S. Tschumper, Andrew F. DeBlase, 2015, The Journal of chemical physics.

OH stretch IR spectra of (H2O)3 and benzene-(H2O)3

K. Jordan, T. Zwier, J. Pedulla, 1997 .

Spectroscopic snapshots of the proton-transfer mechanism in water

Kenneth D. Jordan, Mark A. Johnson, Joseph A. Fournier, 2016, Science.

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.

Joel M Bowman, Mark A. Johnson, Kenneth D Jordan, 2005, The Journal of chemical physics.

Electron transmission spectroscopy of triptycene: An investigation of the intramolecular orbital interactions

K. Jordan, V. Balaji, 1985 .

Electron impact excitation of the singlet and triplet B1u π → π∗ states of ethylene near threshold

K. Jordan, D. Love, 1995 .

Temporary anions of the fluoroethylenes

K. Jordan, P. Burrow, N. Chiu, 1979 .

High resolution S1←S0 fluoescence excitation spectra of the 1‐ and 2‐hydroxynaphthalenes. Distinguishing the cis and trans rotamers

K. Jordan, D. Plusquellic, D. Pratt, 1990 .

Resonant ion-dip infrared spectroscopy of the S4 and D2d water octamers in benzene-(water)8 and benzene2-(water)8

K. Jordan, T. Zwier, J. Carney, 1998 .

Theoretical study of small water clusters : low-energy fused cubic structures for (H2O)n, n = 8, 12, 16, and 20

Kenneth D. Jordan, C. J. Tsai, K. Jordan, 1993 .

Monte Carlo simulation of (H2O)8: Evidence for a low‐energy S4 structure and characterization of the solid ↔ liquid transition

C. J. Tsai, K. Jordan, 1991 .

Dipole-bound anions of highly polar molecules: ethylene carbonate and vinylene carbonate.

K. Jordan, N. Hammer, K. Diri, 2004, The Journal of chemical physics.

Electronic coupling through saturated hydrocarbon bridges

M. Paddon-Row, K. Jordan, M. Shephard, 1993 .

Collective Reactivity of Molecular Chains Self-Assembled on a Surface

K. Jordan, J. Yates, D. Sorescu, 2008, Science.

Coadsorption properties of CO2 and H2O on TiO2 rutile (110): a dispersion-corrected DFT study.

K. Jordan, D. Sorescu, W. Al-Saidi, 2012, The Journal of chemical physics.

CO2 adsorption on TiO2(101) anatase: a dispersion-corrected density functional theory study.

K. Jordan, D. Sorescu, W. Al-Saidi, 2011, The Journal of chemical physics.

Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H9O4+ Cation with Two-Color, IR-IR Double-Resonance Photoexcitation: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core.

Mark A. Johnson, K. Jordan, J. Bowman, 2018, The journal of physical chemistry. A.

Direct measurement of the energy thresholds to conformational isomerization in tryptamine: experiment and theory.

K. Jordan, A. Defusco, T. Zwier, 2005, The Journal of chemical physics.

Entropy-driven population distributions in a prototypical molecule with two flexible side chains: O-(2-acetamidoethyl)-N-acetyltyramine.

K. Jordan, M. Lipton, Alissa A. Hare, 2007, The Journal of chemical physics.

Conformational preferences of jet-cooled melatonin: probing trans- and cis-amide regions of the potential energy surface.

K. Jordan, T. Zwier, G. Florio, 2002, Journal of the American Chemical Society.

Fluorescence‐dip infrared spectroscopy of the tropolone‐H2O complex

K. Jordan, T. Zwier, R. K. Frost, 1996 .

Theoretical calculation of the height of the barrier for OH rotation in hydroquinone

K. Jordan, Kyungsun Kim, 1995 .

The electronic structure of small clusters of sodium

R. Silbey, K. Jordan, A. Gelb, 1975 .

Investigation of the reliability of density functional methods: Reaction and activation energies for Si–Si bond cleavage and H2 elimination from silanes

Petr Nachtigall, Kenneth D. Jordan, Hannes Jónsson, 1996 .

A flexible nudged elastic band program for optimization of minimum energy pathways using ab initio electronic structure methods

Kenneth D. Jordan, Dominic R. Alfonso, K. Jordan, 2003, J. Comput. Chem..

Studies of the negative ions of polar molecules LiH-, NaH-, NaCl-

J. Wendoloski, K. Jordan, 1978 .

Electron transmission spectroscopy of 1,3,5-hexatriene: isomeric differences in .pi. orbital energies

K. Jordan, P. Burrow, 1982 .

Stabilities and structures of the Li-CO2 and Na-CO2 complexes

K. Jordan, Y. Yoshioka, 1981 .

Theoretical studies of positron–molecule complexes

K. Jordan, H. Kurtz, 1981 .

Binding of an electron to a molecular quadrupole: (BeO)2

K. Jordan, J. F. Liebman, 1979 .

On the structure of the LiH dimer and its negative ion

K. Jordan, 1976 .

Theoretical study of the binding of an electron to a molecular dipole: LiCl -

K. Jordan, W. Luken, 1976 .

Use of Pade approximants in the construction of diabatic potential energy curves for ionic molecules

J. L. Kinsey, R. Silbey, K. Jordan, 1974 .

Comment on ab initio ground state potential energy surfaces for anions of polar molecules

K. Jordan, 1980 .

AB Initio study of the ground state anions of LiF, NaF, BeO and MgO

R. Seeger, K. Jordan, 1978 .

Photochemistry of (OCS) n - cluster ions

W. C. Lineberger, K. Jordan, A. Sanov, 1998 .

Theoretical investigation of the electron affinity of CO2

H. Schaefer, K. Jordan, Y. Yoshioka, 1981 .

Theoretical study of the vertical electron affinity and ionization potentials of C3

K. Jordan, D. Defrees, A. Orendt, 1984 .

Theoretical study of the isomerization of cyanogen

K. Jordan, J. Yates, K. Sunil, 1990 .

Mapping the temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage

Tae Hoon Choi, Mark A. Johnson, K. Jordan, 2020, Proceedings of the National Academy of Sciences.

Bottom-up view of water network-mediated CO2 reduction using cryogenic cluster ion spectroscopy and direct dynamics simulations.

Mark A. Johnson, Vamsee K Voora, Vamsee K. Voora, 2012, The journal of physical chemistry. A.

Water Network Shape-Dependence of Local Interactions with the Microhydrated -NO2- and -CO2- Anionic Head Groups by Cold Ion Vibrational Spectroscopy.

Tae Hoon Choi, Mark A. Johnson, K. Jordan, 2022, The journal of physical chemistry. A.

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.

Mark A. Johnson, Ben M. Elliott, Rachael A. Relph, 2009, The journal of physical chemistry. A.

Geometrics of the radical anions of ethylene, fluoroethylene, 1,1-difluoroethylene, and tetrafluoroethylene

M. Paddon-Row, K. Houk, K. Jordan, 1982 .

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo.

Edgar Josué Landinez Borda, Joonho Lee, F. Malone, 2020, The Journal of chemical physics.

Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods.

Hongxia Hao, B. Rubenstein, K. Jordan, 2018, Journal of Physical Chemistry Letters.

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

K. Jordan, J. Lin, H. Siddiqui, 1983 .

Assessment of various electronic structure methods for characterizing temporary anion states: application to the ground state anions of N2, C2H2, C2H4, and C6H6.

K. Jordan, Daniel S Ackerman, M. Falcetta, 2014, The journal of physical chemistry. A.

temporary Σ and Π anions of the chloroethylenes and chlorofluoroethylenes

K. Jordan, P. Burrow, N. Chiu, 1981 .

Ab initio study of the electronic structure of Li2

J. Gole, K. Jordan, D. Dixon, 1977 .

Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the (2)Π shape resonance.

K. Jordan, M. C. Fair, M. Falcetta, 2016, The Journal of chemical physics.

Ab initio study of electronic energy transfer in the quenching of CO*(a 3Π) by H2

K. Jordan, M. Golde, R. F. Sperlein, 1987 .

Many‐body perturbation theoretical studies of the dipole moments, polarizabilities, and electron affinities of LiF and BeO

K. Jordan, Y. Yoshioka, 1980 .

Polarizabilities, dipole moments and electron affinities of LiF and BeO

K. Jordan, Y. Yoshioka, 1981 .

Temporary anion states of the chlorobenzenes

K. Jordan, P. Burrow, A. Modelli, 1986 .

Application of the stabilization method to the N−2(1 2Πg) and Mg−(1 2P) temporary anion states

Kenneth D. Jordan, K. Jordan, J. S.‐Y. Chao, 1990 .

Electron transmission spectroscopy of dibenzene chromium: Characterization of the unfilled molecular orbitals

K. Jordan, P. Burrow, A. Modelli, 1985 .

Study of long-range .pi.*,.pi.* interactions in rigid molecules by electron transmission spectroscopy

M. Paddon-Row, K. Jordan, L. Ng, 1987 .

Nonvalence Correlation-Bound Anion States of Polycyclic Aromatic Hydrocarbons.

Vamsee K Voora, Vamsee K. Voora, K. Jordan, 2015, The journal of physical chemistry letters.

Nonvalence correlation-bound anion states of spherical fullerenes.

Vamsee K Voora, Vamsee K. Voora, K. Jordan, 2014, Nano letters.

Theoretical investigation of the structure and stability of AlCO and Al(CO) 2 and their cations

K. Jordan, V. Balaji, K. Sunil, 1987 .

Ab initio study of bis(nitrogen dioxide)(1+) and bis(carbon dioxide)(1-) ions

K. Jordan, Y. Yoshioka, 1980 .

Correlation between molecular electron affinities and dipole moments

K. Jordan, 1976 .

Model potential study of non-valence correlation-bound anions of (C60)n clusters: the role of electric field-induced charge transfer.

Tae Hoon Choi, K. Jordan, 2019, Faraday discussions.

Model potential approaches for describing the interaction of excess electrons with water clusters: incorporation of long-range correlation effects.

K. Jordan, A. Defusco, T. Sommerfeld, 2008, The journal of physical chemistry. A.

Comment on the electronic structure of small beryllium and magnesium clusters and their anions

J. Simons, K. Jordan, 1980 .

Ab initio studies of the electronic structures of LiOH− and Li2O−

K. Jordan, R. Blickensderfer, 1979 .

Theoretical study of the anions of BeF2 and MgF2

K. Jordan, W. Luken, B. Seiders, 1979 .

Binding of an electron to a molecular dipole: BeF 2−

K. Jordan, W. Luken, B. Seiders, 1978 .

Ab initio study of the positron affinity of LiH

K. Jordan, H. Kurtz, 1978 .

Theoretical study of the low-lying triplet and singlet states of tetramethyleneethane: prediction of a triplet below singlet state at the triplet equilibrium geometry

K. Jordan, P. Nachtigall, 1993 .

Theoretical studies of molecular ions: Be−2

J. Simons, K. Jordan, 1975 .

Determination of the energies and spectroscopic constants of the low-lying electronic states of aluminum dimers (Al2, Al2+, and Al2-)

K. Jordan, K. D. Jordan, K. K. Sunil, 1988 .

Temporary Anion Resonances of Pyrene: A 2D Photoelectron Imaging and Computational Study.

K. Jordan, A. Lietard, J. Verlet, 2021, The journal of physical chemistry. A.

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.

Mark A. Johnson, K. Jordan, A. McCoy, 2016, The Journal of chemical physics.

Electronic Structure of (CS2)2(

W. C. Lineberger, K. Jordan, A. Sanov, 1998 .

Dissociative attachment studies of halogen-containing molecules: problems, applications and challenges

G. Gallup, K. Jordan, I. Fabrikant, 1996 .

Theoretical study of the energetics of the O3(X̃ 1A1) → O2(X 3Σ−g) + O(3P) dissociation process

K. Jordan, M. Krishna, 1987 .

Mid-infrared characterization of the NH4 +(H2O)n clusters in the neighborhood of the n=20 "magic" number.

Mark A. Johnson, K. Jordan, N. Hammer, 2005, The Journal of chemical physics.

Theoretical study of the 2Σu+ and 2Σg+ states of Li2− and Na2−

K. Jordan, K. Sunil, 1984 .

Electron transmission spectra of carbonyl fluoride: Determination of the vertical electron affinity

K. Jordan, Y. Choi, 1989 .

Low-lying isomers and finite temperature behavior of (H2O)6 -.

S. D. Gardner, K. Jordan, A. Defusco, 2006, The Journal of chemical physics.

Infrared spectrum and structural assignment of the water trimer anion.

K. Jordan, J. Roscioli, N. Hammer, 2005, The journal of physical chemistry. A.

Isolating the spectral signatures of individual sites in water networks using vibrational double-resonance spectroscopy of cluster isotopomers

Ben M. Elliott, Marvin Johnson, K. Jordan, 2010 .

Interplay between hydrogen bonding and electron solvation on hydrated TiO2(110)

Bin Li, Jin Zhao, Kenneth D. Jordan, 2006 .

A distributed point polarizable force field for carbon dioxide

K. Jordan, Revati Kumar, Fangfang Wang, 2012, Theoretical Chemistry Accounts.

Theoretical potential energy curves and spectroscopic properties of the X2Σu+ and A2Σg+ states of He2+

K. Jordan, A. Khan, A. Khan, 1986 .

Electronic structure of small metal clusters. II. Anions of Li2, LiNa, and Na2

J. Simons, K. Jordan, Ron Shepard, 1978 .

How the Shape of an H-Bonded Network Controls Proton-Coupled Water Activation in HONO Formation

Mark A. Johnson, Ben M. Elliott, Michael Z. Kamrath, 2010, Science.

Mode‐selective photoisomerization in 5‐hydroxytropolone. II. Theory

K. Jordan, T. Zwier, John J Nash, 1995 .

Accurate calculation of the interaction energies in hydrogen-bonded complexes

K. Jordan, S. Xantheas, J. Pedulla, 1997 .

CO2 adsorption on TiO2(110) rutile: insight from dispersion-corrected density functional theory calculations and scanning tunneling microscopy experiments.

K. Jordan, D. Sorescu, W. Al-Saidi, 2011, The Journal of chemical physics.

Structural and electronic properties of ultrathin picene films on the Ag(100) surface

K. Jordan, D. Sorescu, P. Maksymovych, 2016 .

Fluorescence‐dip infrared spectroscopy of tropolone and tropolone‐OD

K. Jordan, T. Zwier, R. K. Frost, 1996 .

Si adatom binding and diffusion on the Si(100) surface: Comparison of ab initio, semiempirical and empirical potential results

Petr Nachtigall, Kenneth D. Jordan, Hannes Jónsson, 1995 .

Concerted Use of Slab and Cluster Models in an ab Initio Study of Hydrogen Desorption from the Si(100) Surface

K. Jordan, P. Nachtigall, T. Phung, 2001 .

Barriers for hydrogen atom diffusion on the Si(100)‐2×1 surface

K. Jordan, P. Nachtigall, 1995 .

Ab initio calculation of the energy of recombinative hydrogen desorption from the monohydride phase of silicon (100)

K. Jordan, P. Nachtigall, C. Sosa, 1993 .

CO2−Fluorocarbon and CO2−Hydrocarbon Interactions from First-Principles Calculations

K. Jordan, E. Beckman, J. Johnson, 1998 .

Molecular dynamics simulations of methane hydrate decomposition.

K. Jordan, Hao Jiang, R. Warzinski, 2009, The journal of physical chemistry. A.

The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions.

K. Jordan, J. Shee, Shiv Upadhyay, 2020, The Journal of chemical physics.

Frontiers of stochastic electronic structure calculations.

L. Shulenburger, K. Jordan, L. Wagner, 2021, The Journal of chemical physics.

The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations.

A. Benali, Hyeondeok Shin, K. Jordan, 2022, The Journal of chemical physics.

Exploration of Brueckner orbital trial wave functions in diffusion Monte Carlo calculations

K. Jordan, Michael J. Deible, 2016 .

Benchmark study of the interaction energy for an (H2O)16 cluster: quantum Monte Carlo and complete basis set limit MP2 results.

K. Jordan, Fangfang Wang, Michael J. Deible, 2013, The journal of physical chemistry. A.

On the size of the 4s orbital of the copper atom

K. Jordan, K. Sunil, 1986 .

Theoretical investigation of the low‐lying electronic states of Cu, Zn, and their ions

K. Jordan, K. Sunil, 1985 .

Establishing the ground state of the disjoint diradical tetramethyleneethane with quantum Monte Carlo.

K. Jordan, X. Su, Zachary D. Pozun, 2013, Journal of the American Chemical Society.

H4: A model system for assessing the performance of diffusion Monte Carlo calculations using a single Slater determinant trial function.

Michael Deible, Kenneth D Jordan, Kevin Gasperich, 2017, The Journal of chemical physics.

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.

Tae Hoon Choi, K. Jordan, Tijo Vazhappilly, 2017, The Journal of chemical physics.

Use of unrestricted hartree‐fock wave functions in RPA calculations

Kenneth D. Jordan, K. Jordan, 2009 .

Comment on a spurious prediction of a non-planar geometry for benzene at the MP2 level of theory

K. Jordan, N. Samala, 2017 .

Symmetry-Adapted Perturbation Theory Energy Analysis of Alkyl Fluorine-Aromatic Interactions in Torsion Balance Systems.

K. Jordan, M. C. Sherman, Mark R Ams, 2016, The journal of physical chemistry. A.

Proton-coupled electron transfer in [pyridine·(H2O)n]−, n = 3, 4, clusters

K. Jordan, Kaye A. Archer, 2016 .

Evaluation of theoretical approaches for describing the interaction of water with linear acenes.

K. Jordan, G. Jenness, O. Karalti, 2011, The journal of physical chemistry. A.

Potential energy surfaces for the reaction silicon + water

M. Gordon, K. Jordan, S. Sakai, 1988 .

Theoretical Study of Oxygen Adsorption on Graphite and the (8,0) Single-walled Carbon Nanotube

P. Avouris, K. Jordan, D. Sorescu, 2001 .

Understanding the sensor response of metal-decorated carbon nanotubes.

Douglas R. Kauffman, K. Jordan, A. Star, 2010, Nano letters.

Theoretical Methods for Modeling Chemical Processes on Semiconductor Surfaces

K. Jordan, J. Steckel, 2004 .

Theoretical study of the dipole moment, polarizability, and their derivatives for the CO molecule

K. Jordan, K. Sunil, 1988 .

Oxygen Atom Exchange between Gaseous CO2 and TiO2 Nanoclusters

L. Kavan, A. Zukal, K. Jordan, 2015 .

Mechanism of Oxygen Exchange between CO2 and TiO2(101) Anatase

K. Jordan, D. Sorescu, S. Civiš, 2014 .

The chemisorption of coronene on Si(001)-2 x 1.

J. Levy, K. Jordan, J. Yates, 2006, The Journal of chemical physics.

Monte Carlo simulations of the finite temperature properties of (H2O)6

K. Jordan, R. Christie, 2005 .

Theoretical study of the (H2O)6 cluster

C. J. Tsai, K. Jordan, 1993 .

Applications of analytic continuation in the construction of potential energy curves

K. Jordan, 2009 .

Continued fraction representations of the dipole moment function and the electronic transition moment function of diatomic molecules

K. Jordan, 1975 .

Construction of potential energy curves in avoided crossing situations

K. Jordan, 1975 .

Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods.

K. Jordan, G. Jenness, O. Karalti, 2010, Physical chemistry chemical physics : PCCP.

Electron-stimulated bond rearrangements on the H/Si(100)-3×1 surface

K. Jordan, T. Shen, J. Steckel, 2000 .

An Assessment of the vdW-TS Method for Extended Systems.

Vamsee K Voora, W A Al-Saidi, Kenneth D Jordan, 2012, Journal of chemical theory and computation.

Theoretical study of the binding energy of a methane molecule in a (H2O)20 dodecahedral cage.

Kenneth D Jordan, K. Jordan, Michael J Deible, 2014, The journal of physical chemistry. B.

Comparison of the Properties of Xenon, Methane, and Carbon Dioxide Hydrates from Equilibrium and Nonequilibrium Molecular Dynamics Simulations†

Kenneth D. Jordan, Hao Jiang, K. Jordan, 2010 .

Theoretical investigation of the normal-mode vibrational frequencies and intensities of ethylene

K. Jordan, R. Garrell, A. M. Ahern, 1988 .

An extended-valence MC SCF procedure: determination of the dissociation energies of C2, N2, O2, and F2

K. Jordan, M. Krishna, 1987 .

A self-consistent polarization potential model for describing excess electrons interacting with water clusters.

Vamsee K Voora, Vamsee K. Voora, K. Jordan, 2013, The journal of physical chemistry. B.

Correlation Consistent Gaussian Basis Sets for H, B-Ne with Dirac-Fock AREP Pseudopotentials: Applications in Quantum Monte Carlo Calculations.

K. Jordan, K. Peterson, Michael J. Deible, 2013, Journal of chemical theory and computation.

Parallel tempering Monte Carlo simulations of the water heptamer anion

K. Jordan, A. Defusco, T. Sommerfeld, 2008 .

Negative ion formation in alkali halide clusters

K. Jordan, K. Sunil, 1987 .

Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab models.

M. Gillan, K. Jordan, D. Alfé, 2012, Physical chemistry chemical physics : PCCP.

Theoretical study of the NaClNaCl− ↔ ClNaNaCl− interconversion

K. Jordan, K. Sunil, 1989 .

Theoretical study of the structure and stability of (NaCl) 2

K. Jordan, K. Sunil, 1988 .

Theoretical Characterization of the Minimum-Energy Structure of (SF6)2.

K. Jordan, Tijo Vazhappilly, Aude Marjolin, 2016, The journal of physical chemistry. B.

A modified MSEVB force field for protonated water clusters.

K. Jordan, R. Christie, R. Kumar, 2009, The journal of physical chemistry. B.

Excited electronic state mixing in 7-azaindole. Quantitative measurements using the Stark effect.

K. Jordan, D. Pratt, Justin W Young, 2013, The journal of physical chemistry. B.

Parallel-Tempering Monte Carlo Study of (H2O)n = 6-9

Arnold N. Tharrington, Kenneth D. Jordan, A. Tharrington, 2003 .

Theoretical study of [F−; e+] and [CN−; e+]

K. Jordan, H. Kurtz, 1978 .

A comparison of the positron energy levels of (F-; e+) and (CN-; e+) with the Rydberg levels of Na and NO

K. Jordan, H. Kurtz, 1979 .

Molecular dynamics simulations of methane hydrate using polarizable force fields.

K. Jordan, H Jiang, K D Jordan, 2007, The journal of physical chemistry. B.

Molecular dynamics simulations of the thermal conductivity of methane hydrate.

K. Jordan, Hao Jiang, R. Warzinski, 2008, Journal of Physical Chemistry B.

THERMAL PROPERTIES OF METHANE HYDRATE BY EXPERIMENT AND MODELING AND IMPACTS UPON TECHNOLOGY

Niall J. English, K. Jordan, E. Rosenbaum, 2008 .

Properties of the X 1Σ state of BF

K. Jordan, H. Kurtz, 1981 .

A simple procedure for investigating the influence of a chromophore's orbital energies on electronic coupling through saturated hydrocarbon bridges

M. Paddon-Row, K. Jordan, M. Shephard, 1993 .

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

M. Paddon-Row, K. Jordan, 1993 .

Quantum Monte Carlo calculation of the binding energy of the beryllium dimer.

K. Jordan, Kevin Gasperich, Michael J. Deible, 2015, The Journal of chemical physics.

Application of the MC SCF method to the π-π* excitation energies of ethylene

R. Shepard, K. Jordan, K. Sunil, 1984 .

Electronic structure of small metal clusters. I. Anions of Be2, Be3, and Be4

J. Simons, K. Jordan, 1999 .

Infrared spectroscopy of small protonated water clusters, H(+)(H2O)n (n = 2-5): isomers, argon tagging, and deuteration.

K. Jordan, M. Duncan, R. S. Walters, 2010, The journal of physical chemistry. A.

Isotope Effects in the Zundel-Eigen Isomerization of H+(H2O)6.

Tae Hoon Choi, K. Jordan, Josef Heindel, 2023, The journal of physical chemistry letters.

Analytical gradient for geometry optimizations of (H2O)n- clusters as described by the PM1 polarizable model

Tae Hoon Choi, K. Jordan, 2008 .

Finite temperature behavior of H+(H2O)6and H+(H2O)8

K. Jordan, K. D. Jordan, R. A. Christie, 2002 .

Large anharmonic effects in the infrared spectra of the symmetrical CH3NO2−⋅(H2O) and CH3CO2−⋅(H2O) complexes

Marvin Johnson, K. Jordan, E. Sibert, 2003 .

Infrared photodissociation spectroscopy of Mg(+)(H2O)Ar(n) complexes: isomers in progressive microsolvation.

K. Jordan, M. Duncan, N. Walker, 2005, The journal of physical chemistry. A.

Theoretical Investigation of the H3O+(H2O)4 Cluster

K. Jordan, K. D. Jordan, R. A. Christie and, 2001 .

Estimating the Strength of the Water/Single-Layer Graphite Interaction

David Feller, Kenneth D. Jordan, K. Jordan, 2000 .

Application of electronic structure methods to coupled Drude oscillators

Vamsee K. Voora, K. Jordan, T. Odbadrakh, 2015 .

Through-bond interactions in nonconjugated dienes and diones

K. Jordan, R. Gleiter, V. Balaji, 1985 .

Through-Bond Interactions in Nonconjugated Dienes and Diones (electron transmission spectroscopy).

K. Jordan, R. Gleiter, V. Balaji, 1986 .

A cautionary comment on the use of orthogonal localized molecular orbitals for the quantitative analysis of through-space and through-bond orbital interactions

M. Paddon-Row, K. Jordan, Stephen S. Wong, 1990 .

Properties of Water Clusters on a Graphite Sheet

K. Jordan, K. Karapetian, 2003 .

Cooperative Effects in Ligand Binding to Metal Atoms: the Bonding in M(CO)2, M = Be, Al, and Ga, and in Be2(CO)4, and Be(C2H4)(CO)n, n = 0−2

K. Jordan, K. Sunil, P. M. Bolkovac, 1992 .

Application of the diffusion Monte Carlo method to the binding of excess electrons to water clusters.

K. Jordan, J. Xu, 2010, The journal of physical chemistry. A.

Quantum energy flow and the kinetics of water shuttling between hydrogen bonding sites on trans-formanilide.

D. Leitner, K. Jordan, E. Myshakin, 2007, The Journal of chemical physics.

Smallest water clusters supporting the ice I structure

K. Jordan, 2019, Proceedings of the National Academy of Sciences.

Water Chain Formation on TiO2(110).

K. Jordan, D. Sorescu, Xingyi Deng, 2013, The journal of physical chemistry letters.

Bonding in the Mg4 cluster - An example of chemical bonding originating from electron correlation effects

K. Jordan, C. E. Dykstra, R. Chiles, 1981 .

Measurement of the vertical electron affinities of cyanogen and 2,4-hexadiyne

K. Jordan, V. Balaji, L. Ng, 1983 .

The chemisorption of dibenzo[a,j]coronene on Si(001)-2 x 1.

K. Jordan, J. Yates, D. Sorescu, 2006, The Journal of chemical physics.

Global optimization and finite temperature simulations of atomic clusters: Use of XenArm clusters as test systems

Arnold N. Tharrington, Kenneth D. Jordan, Lindsey J. Munro, 2002 .

DF-DFT-SAPT Investigation of the Interaction of a Water Molecule to Coronene and Dodecabenzocoronene: Implications for the Water−Graphite Interaction

K. Jordan, G. Jenness, 2009 .

Comment on “Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods”

K. Jordan, A. Hesselmann, 2019, The Journal of Physical Chemistry C.

Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters.

K. Jordan, G. Jenness, W. Al-Saidi, 2010, The Journal of chemical physics.

Theoretical study of the n-body interaction energies of the ring, cage and prism forms of (H2O)6

K. Jordan, Kyungsun Kim, J. Pedulla, 1998 .

On the convergence of parallel tempering Monte Carlo simulations of LJ38.

K. Jordan, Hanbin Liu, 2005, The journal of physical chemistry. A.

Electron Transmission Study of the Splitting of the π* MO's of Angle‐strained Cyclic Acetylenes: Implications for the Electrophilicity of Alkynes

K. Jordan, A. Krebs, Li-Ren Ng, 2010 .

Computational Benchmarking and Evaluation of Transition Metal Complexes toward Materials Discovery

C. Wilmer, G. Hutchison, K. Jordan, 2021 .

Application of the SCC-DFTB method to H+(H2O)6, H+(H2O)21, and H+(H2O)22.

Tae Hoon Choi, Kenneth D Jordan, K. Jordan, 2010, The journal of physical chemistry. B.

Understanding the sensor response of metal-decorated carbon nanotubes.

Douglas R. Kauffman, K. Jordan, A. Star, 2010, Nano letters.

Analysis of the equation-of-motion theory of electron affinities and ionization potentials

J. Simons, K. Jordan, Tsung-Tai Chen, 1976 .

Advances in the development , efficiency , and application of auxiliary field and real-space variational and diffusion Quantum

Ilkka Kylänpää, Lubos Mitas, Rubenstein, 2020 .

WHY IS A SIMPLE N-ALKYL BRIDGE MORE EFFICIENT THAN A POLYNORBORNYL BRIDGE AT MEDIATING THROUGH-BOND COUPLING ?

M. Paddon-Row, K. Jordan, Michael J. Shephard, 1994 .

Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters.

K. Jordan, G. Jenness, W. Al-Saidi, 2010, The Journal of chemical physics.

Theoretical studies of nonvalence correlation-bound anions

Vamsee K. Voora, K. Jordan, 2015 .

Progress toward a one-electron model for the non-valence correlation-bound anions of polycyclic aromatic hydrocarbons

K. Jordan, Devin M Mulvey, 2022, Electronic Structure.

Resonant Electron Scattering and Anion States in Polyatomic Molecules

K. Jordan, P. Burrow, 1981 .

Application of a Fluctuating Charge Polarization Model to Large Polyaromatic Hydrocarbons and Graphene Nanoflakes

K. Jordan, Devin M Mulvey, 2023, The journal of physical chemistry letters.

AB INITIO INVESTIGATION OF THE TEMPORARY ANION STATES OF SILANE AND THE LINEAR SILANES : (SINH2N+2), N = 2-5

K. Jordan, M. Falcetta, 1999 .

Preface: Special Topic: From Quantum Mechanics to Force Fields.

K. Jordan, Jean‐Philip Piquemal, 2017, The Journal of chemical physics.

Real-Time Modulation of Hydrogen Evolution Activity of Graphene Electrodes Using Mechanical Strain.

K. Jordan, D. Sorescu, Haitao Liu, 2022, ACS applied materials & interfaces.

Diffusion of CO{sub 2} on Rutile TiO{sub 2}(110) Surface

K. Jordan, D. Sorescu, Xingyi Deng, 2011 .

Single conformation spectroscopy of a flexible bichromophore: 3-(4-hydroxyphenyl)-N-benzylpropionamide.

Tae Hoon Choi, K. Jordan, T. Zwier, 2008, The journal of physical chemistry. A.