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 | 801 | 2020 |
Random-phase approximation methods GP Chen, VK Voora, MM Agee, SG Balasubramani, F Furche Annual Review of Physical Chemistry 68 (1), 421-445, 2017 | 177 | 2017 |
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 | 133 | 2012 |
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 | 101 | 2011 |
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 | 87 | 2013 |
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 | 84 | 2017 |
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 | 66 | 2023 |
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 | 62 | 2015 |
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 | 55 | 2014 |
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 | 54 | 2019 |
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 | 46 | 2017 |
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 | 44 | 2018 |
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 | 44 | 2013 |
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 | 43 | 2017 |
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 | 40 | 2012 |
Nonvalence correlation-bound anion states of spherical fullerenes VK Voora, KD Jordan Nano letters 14 (8), 4602-4606, 2014 | 36 | 2014 |
Nonvalence correlation-bound anion states of polycyclic aromatic hydrocarbons VK Voora, KD Jordan The Journal of Physical Chemistry Letters 6 (20), 3994-3997, 2015 | 29 | 2015 |
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 | 25 | 2012 |
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 | 20 | 2019 |
Assessment of density functional theory in predicting interaction energies between water and polycyclic aromatic hydrocarbons: from water on benzene to water on graphene AO Ajala, V Voora, N Mardirossian, F Furche, F Paesani Journal of Chemical Theory and Computation 15 (4), 2359-2374, 2019 | 20 | 2019 |