Viki Kumar Prasad

University of British Columbia, Okanagan 
Computational Chemistry
"Viki Kumar Prasad"
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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
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