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Vamsee Voora
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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ...
The Journal of chemical physics 152 (18), 2020
7392020
Random-phase approximation methods
GP Chen, VK Voora, MM Agee, SG Balasubramani, F Furche
Annual Review of Physical Chemistry 68, 421-445, 2017
1762017
An assessment of the vdW-TS method for extended systems
WA Al-Saidi, VK Voora, KD Jordan
Journal of chemical theory and computation 8 (4), 1503-1513, 2012
1322012
Density functional theory study of pyrophyllite and M-montmorillonites (M= Li, Na, K, Mg, and Ca): Role of dispersion interactions
VK Voora, WA Al-Saidi, KD Jordan
The Journal of Physical Chemistry A 115 (34), 9695-9703, 2011
1002011
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
862013
Comparisons of lanthanide/actinide+ 2 ions in a tris (aryloxide) arene coordination environment
ME Fieser, CT Palumbo, HS La Pierre, DP Halter, VK Voora, JW Ziller, ...
Chemical science 8 (11), 7424-7433, 2017
802017
Nonvalence Correlation-Bound Anion State of C6F6: Doorway to Low-Energy Electron Capture
VK Voora, KD Jordan
The Journal of Physical Chemistry A 118 (35), 7201-7205, 2014
542014
Variational generalized Kohn-Sham approach combining the random-phase-approximation and Green's-function methods
VK Voora, SG Balasubramani, F Furche
Physical Review A 99 (1), 012518, 2019
522019
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
452017
TURBOMOLE: Today and tomorrow
YJ Franzke, C Holzer, JH Andersen, T Begušić, F Bruder, S Coriani, ...
Journal of chemical theory and computation 19 (20), 6859-6890, 2023
432023
Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimides
ZA Könst, AR Szklarski, S Pellegrino, SE Michalak, M Meyer, C Zanette, ...
Nature chemistry 9 (11), 1140-1149, 2017
432017
A self-consistent polarization potential model for describing excess electrons interacting with water clusters
VK Voora, J Ding, T Sommerfeld, KD Jordan
The Journal of Physical Chemistry B 117 (16), 4365-4370, 2013
432013
Metal versus Ligand Reduction in Ln3+ Complexes of a Mesitylene-Anchored Tris(Aryloxide) Ligand
CT Palumbo, DP Halter, VK Voora, GP Chen, AK Chan, ME Fieser, ...
Inorganic chemistry 57 (5), 2823-2833, 2018
402018
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
402012
Nonvalence correlation-bound anion states of spherical fullerenes
VK Voora, KD Jordan
Nano letters 14 (8), 4602-4606, 2014
342014
Theoretical Chemistry Accounts: Theory, Computation, and Modeling
KD Jordan, VK Voora, J Simons
Theor Chim Acta 133 (1), 2014
332014
Negative electron affinities from conventional electronic structure methods
KD Jordan, VK Voora, J Simons
Thom H. Dunning, Jr. A Festschrift from Theoretical Chemistry Accounts, 85-99, 2015
302015
Nonvalence correlation-bound anion states of polycyclic aromatic hydrocarbons
VK Voora, KD Jordan
The Journal of Physical Chemistry Letters 6 (20), 3994-3997, 2015
282015
Bottom-Up View of Water Network-Mediated CO2 Reduction Using Cryogenic Cluster Ion Spectroscopy and Direct Dynamics Simulations
KJ Breen, AF DeBlase, TL Guasco, VK Voora, KD Jordan, T Nagata, ...
The Journal of Physical Chemistry A 116 (3), 903-912, 2012
252012
Understanding the role of intermolecular interactions between lissoclimides and the eukaryotic ribosome
S Pellegrino, M Meyer, ZA Könst, M Holm, VK Voora, D Kashinskaya, ...
Nucleic acids research 47 (6), 3223-3232, 2019
202019
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