Viki Kumar Prasad
Affiliations: | University of British Columbia, Okanagan |
Area:
Computational ChemistryGoogle:
"Viki Kumar Prasad"Parents
Sign in to add mentor| Lars Goerigk | research assistant | 2016-2016 | University of Melbourne, Australia |
| Anoop Ayyappan | grad student | 2015-2016 | Indian Institute of Technology Kharagpur |
| Gino A. DiLabio | grad student | 2016-2020 | University of British Columbia, Okanagan (Astronomy Tree) |
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Publications
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| Prasad VK, Pei Z, Edelmann S, et al. (2022) Correction to "BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials". Journal of Chemical Theory and Computation |
| Prasad VK, Otero-de-la-Roza A, DiLabio GA. (2022) Small-Basis Set Density-Functional Theory Methods Corrected with Atom-Centered Potentials. Journal of Chemical Theory and Computation |
| Prasad VK, Otero-de-la-Roza A, DiLabio GA. (2022) Fast and Accurate Quantum Mechanical Modeling of Large Molecular Systems Using Small Basis Set Hartree-Fock Methods Corrected with Atom-Centered Potentials. Journal of Chemical Theory and Computation. 18: 2208-2232 |
| Prasad VK, Pei Z, Edelmann S, et al. (2021) BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials. Journal of Chemical Theory and Computation |
| Prasad VK, Khalilian MH, Otero-de-la-Roza A, et al. (2021) BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds. Scientific Data. 8: 300 |
| Prasad VK, Otero-de-la-Roza A, DiLabio GA. (2019) PEPCONF, a diverse data set of peptide conformational energies. Scientific Data. 6: 180310 |
| Prasad VK, Otero-de-la-Roza A, DiLabio GA. (2017) Atom-Centered Potentials with Dispersion-Corrected Minimal Basis Set Hartree-Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems. Journal of Chemical Theory and Computation |
| DiLabio GA, Franchi P, Lanzalunga O, et al. (2017) Hydrogen Atom Transfer (HAT) Processes Promoted by the Quinolinimide-N-Oxyl Radical. A Kinetic and Theoretical Study. The Journal of Organic Chemistry |