Search filters

List of works by Viki Kumar Prasad

Atom-Centered Potentials with Dispersion-Corrected Minimal Basis Set Hartree-Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems.

scientific article published on 20 December 2017

BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds

scientific article published in 2021

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”

scientific article published on 13 May 2022

Fast and Accurate Quantum Mechanical Modeling of Large Molecular Systems Using Small Basis Set Hartree–Fock Methods Corrected with Atom-Centered Potentials

scientific article published on 21 March 2022

Hydrogen Atom Transfer (HAT) Processes Promoted by the Quinolinimide-N-oxyl Radical. A Kinetic and Theoretical Study

scientific article

PEPCONF, a diverse data set of peptide conformational energies

scientific article published on 22 January 2019

Small-Basis Set Density-Functional Theory Methods Corrected with Atom-Centered Potentials

scientific article published on 12 April 2022

Paulina is supported by:

About Paulina

Help