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Vamsee K. Voora, Ph.D. - Publications

Affiliations: 
University of Pittsburgh, Pittsburgh, PA, United States 
Area:
Theoretical Chemistry
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28 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
2024 Tyagi R, Voora VK. Single-Pole Polarization Models: Rapid Evaluation of Electron Affinities of Solvated-Electron and Superatomic Molecular Anionic States. The Journal of Physical Chemistry Letters. 1218-1226. PMID 38276789 DOI: 10.1021/acs.jpclett.3c03392  0.722
2024 Joshi P, Voora VK. Generalized perturbative singles corrections to the random phase approximation method: Impact on noncovalent interaction energies of closed- and open-shell dimers. The Journal of Chemical Physics. 160. PMID 38258929 DOI: 10.1063/5.0180526  0.715
2023 Tyagi R, Zen A, Voora VK. Quantifying the Impact of Halogenation on Intermolecular Interactions and Binding Modes of Aromatic Molecules. The Journal of Physical Chemistry. A. 127: 5823-5832. PMID 37406194 DOI: 10.1021/acs.jpca.3c02291  0.715
2023 Franzke YJ, Holzer C, Andersen JH, Begušić T, Bruder F, Coriani S, Della Sala F, Fabiano E, Fedotov DA, Fürst S, Gillhuber S, Grotjahn R, Kaupp M, Kehry M, Krstić M, ... ... Voora V, et al. TURBOMOLE: Today and Tomorrow. Journal of Chemical Theory and Computation. PMID 37382508 DOI: 10.1021/acs.jctc.3c00347  0.714
2022 Samal B, Voora VK. Modeling Nonresonant X-ray Emission of Second- and Third-Period Elements without Core-Hole Reference States and Empirical Parameters. Journal of Chemical Theory and Computation. PMID 36350224 DOI: 10.1021/acs.jctc.2c00647  0.725
2022 Balasubramani SG, Voora VK, Furche F. Static polarizabilities within the generalized Kohn-Sham semicanonical projected random phase approximation (GKS-spRPA). The Journal of Chemical Physics. 157: 164107. PMID 36319432 DOI: 10.1063/5.0103664  0.397
2020 Voora VK. Molecular Electron Affinities Using the Generalized Kohn-Sham Semicanonical Projected Random Phase Approximation. The Journal of Physical Chemistry Letters. 433-439. PMID 33356311 DOI: 10.1021/acs.jpclett.0c03362  0.452
2020 Balasubramani SG, Chen GP, Coriani S, Diedenhofen M, Frank MS, Franzke YJ, Furche F, Grotjahn R, Harding ME, Hättig C, Hellweg A, Helmich-Paris B, Holzer C, Huniar U, Kaupp M, ... ... Voora VK, et al. TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics. 152: 184107. PMID 32414256 DOI: 10.1063/5.0004635  0.484
2019 Voora VK, Galhenage R, Hemminger JC, Furche F. Effective one-particle energies from generalized Kohn-Sham random phase approximation: A direct approach for computing and analyzing core ionization energies. The Journal of Chemical Physics. 151: 134106. PMID 31594336 DOI: 10.1063/1.5116908  0.496
2019 Ajala AO, Voora V, Mardirossian N, Furche F, Paesani F. Assessment of Density Functional Theory in Predicting Interaction Energies between Water and Polycyclic Aromatic Hydrocarbons: from Water on Benzene to Water on Graphene. Journal of Chemical Theory and Computation. PMID 30860827 DOI: 10.1021/Acs.Jctc.9B00110  0.434
2019 Pellegrino S, Meyer M, Könst ZA, Holm M, Voora VK, Kashinskaya D, Zanette C, Mobley DL, Yusupova G, Vanderwal CD, Blanchard SC, Yusupov M. Understanding the role of intermolecular interactions between lissoclimides and the eukaryotic ribosome. Nucleic Acids Research. PMID 30759226 DOI: 10.1093/Nar/Gkz053  0.353
2019 Voora VK, Balasubramani SG, Furche F. Variational generalized Kohn-Sham approach combining the random-phase-approximation and Green's-function methods Physical Review A. 99. DOI: 10.1103/Physreva.99.012518  0.482
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  0.756
2017 Chen GP, Voora VK, Agee MM, Balasubramani S, Furche F. Random-Phase Approximation Methods. Annual Review of Physical Chemistry. PMID 28301757 DOI: 10.1146/Annurev-Physchem-040215-112308  0.475
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  0.557
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  0.61
2014 Voora VK, Jordan KD. Nonvalence correlation-bound anion states of spherical fullerenes. Nano Letters. 14: 4602-6. PMID 24978808 DOI: 10.1021/Nl5016574  0.544
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  0.591
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  0.602
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  0.561
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  0.667
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  0.433
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  0.534
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  0.626
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  0.573
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  0.547
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  0.409
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  0.539
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