Viki Kumar Prasad

Molecular Engineering of Triphenylamine Based Aggregation Enhanced Emissive Fluorophore: Structure-Dependent Mechanochromism and Self-Reversible Fluorescence Switching

Palamarneri Sivaraman Hariharan, Viki Kumar Prasad, Surajit Nandi et al. · Crystal Growth & Design · 2016 · 104 citations

Fluorescence Switching, Cyanoacetic Acid, Engineering +18

BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials

Viki Kumar Prasad, Zhipeng Pei, Simon Edelmann et al. · Journal of Chemical Theory and Computation · 2021 · 72 citations

Engineering, Molecular Biology, Computational Chemistry +17

PEPCONF, a diverse data set of peptide conformational energies

Viki Kumar Prasad, Alberto Otero‐de‐la‐Roza, Gino A. DiLabio · Scientific Data · 2019 · 40 citations · Full text

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

Gino A. DiLabio, Paola Franchi, Osvaldo Lanzalunga et al. · The Journal of Organic Chemistry · 2017 · 28 citations

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

Viki Kumar Prasad, Alberto Otero‐de‐la‐Roza, Gino A. DiLabio · Journal of Chemical Theory and Computation · 2017 · 24 citations · Full text

Large Molecular Systems, Engineering, Physics +14