Articoli con mandati relativi all'accesso pubblico - Ken JordanUlteriori informazioni
Non disponibili pubblicamente: 8
Existence of a Correlation Bound s-Type Anion State of C60
VK Voora, LS Cederbaum, KD Jordan
The journal of physical chemistry letters 4 (6), 849-853, 2013
Mandati: German Research Foundation
Benchmark calculations of the energies for binding excess electrons to water clusters
VP Vysotskiy, LS Cederbaum, T Sommerfeld, VK Voora, KD Jordan
Journal of Chemical Theory and Computation 8 (3), 893-900, 2012
Mandati: German Research Foundation
Oxygen Atom Exchange between Gaseous CO2 and TiO2 Nanoclusters
S Civiš, M Ferus, M Zukalová, A Zukal, L Kavan, KD Jordan, DC Sorescu
The Journal of Physical Chemistry C 119 (7), 3605-3612, 2015
Mandati: US Department of Energy, European Commission
Theoretical Characterization of the Minimum-Energy Structure of (SF6)2
T Vazhappilly, A Marjolin, KD Jordan
The Journal of Physical Chemistry B 120 (8), 1788-1792, 2016
Mandati: US National Science Foundation
Exploration of Brueckner orbital trial wave functions in diffusion Monte Carlo calculations
MJ Deible, KD Jordan
Chemical Physics Letters 644, 117-120, 2016
Mandati: US National Science Foundation
Diffusion Monte Carlo Study of the Parallel Displaced Form of the Benzene Dimer
K Gasperich, KD Jordan
Recent Progress in Quantum Monte Carlo, 107-117, 2016
Mandati: US National Science Foundation, US Department of Energy
Two-Dimensional Adiabatic Model for Calculating Progressions Resulting from Stretch–Rock Coupling in Vibrational Spectra of Anion–Water Complexes
EV Henderson, KD Jordan
The Journal of Physical Chemistry Letters 12 (27), 6326-6329, 2021
Mandati: US Department of Energy
Going large (r): general discussion
M Ahmed, S Daly, C Dessent, O Dopfer, V Gabelica, MP Gaigeot, ...
Faraday Discussions 217, 476-513, 2019
Mandati: US Department of Energy
Disponibili pubblicamente: 50
Spectroscopic snapshots of the proton-transfer mechanism in water
CT Wolke, JA Fournier, LC Dzugan, MR Fagiani, TT Odbadrakh, H Knorke, ...
Science 354 (6316), 1131-1135, 2016
Mandati: US National Science Foundation, US Department of Energy, German Research …
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 …
JA Fournier, CT Wolke, MA Johnson, TT Odbadrakh, KD Jordan, ...
The Journal of Physical Chemistry A 119 (36), 9425-9440, 2015
Mandati: US Department of Energy
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo
PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ...
The Journal of chemical physics 152 (17), 2020
Mandati: US National Science Foundation, US Department of Energy
Multiphase Monte Carlo and Molecular Dynamics Simulations of Water and CO2 Intercalation in Montmorillonite and Beidellite
M Makaremi, KD Jordan, GD Guthrie, EM Myshakin
The Journal of Physical Chemistry C 119 (27), 15112-15124, 2015
Mandati: US Department of Energy
Molecular-level origin of the carboxylate head group response to divalent metal ion complexation at the air–water interface
JK Denton, PJ Kelleher, MA Johnson, MD Baer, SM Kathmann, CJ Mundy, ...
Proceedings of the National Academy of Sciences 116 (30), 14874-14880, 2019
Mandati: US National Science Foundation, US Department of Energy, US Department of …
Theoretical approaches for treating non-valence correlation-bound anions
VK Voora, A Kairalapova, T Sommerfeld, KD Jordan
The Journal of Chemical Physics 147 (21), 2017
Mandati: US National Science Foundation
Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H9O4+ Cation with Two-Color, IR–IR Double-Resonance …
CH Duong, N Yang, PJ Kelleher, MA Johnson, RJ DiRisio, AB McCoy, ...
The Journal of Physical Chemistry A 122 (48), 9275-9284, 2018
Mandati: US National Science Foundation, US Department of Energy, US Department of …
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
O Gorlova, JW DePalma, CT Wolke, A Brathwaite, TT Odbadrakh, ...
The Journal of Chemical Physics 145 (13), 2016
Mandati: US National Science Foundation, US Department of Energy
Accurate predictions of electron binding energies of dipole-bound anions via quantum Monte Carlo methods
H Hao, J Shee, S Upadhyay, C Ataca, KD Jordan, BM Rubenstein
The journal of physical chemistry letters 9 (21), 6185-6190, 2018
Mandati: US National Science Foundation, US Department of Energy
Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond
A Benali, K Gasperich, KD Jordan, T Applencourt, Y Luo, MC Bennett, ...
The Journal of Chemical Physics 153 (18), 2020
Mandati: US National Science Foundation, US Department of Energy, Agence Nationale de …
Dispersion dipoles for coupled Drude oscillators
TT Odbadrakh, KD Jordan
The Journal of chemical physics 144 (3), 2016
Mandati: US National Science Foundation
Mapping the temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage
N Yang, SC Edington, TH Choi, EV Henderson, JP Heindel, SS Xantheas, ...
Proceedings of the National Academy of Sciences 117 (42), 26047-26052, 2020
Mandati: US National Science Foundation, US Department of Energy, US Department of …
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