Showing results (11-20 of 158) with videos related to
Sort By:
Pageof 16
Journal of Chemical Information and Modeling|July 30, 2019
Energy Decomposition Analysis of Protein-Ligand Interactions Using Molecules-in-Molecules Fragmentation-Based MethodBishnu Thapa, Krishnan RaghavachariJournal of Chemical Theory and Computation|November 19, 2015
Dimers of Dimers (DOD): A New Fragment-Based Method Applied to Large Water ClustersArjun Saha, Krishnan RaghavachariThe Journal of Chemical Physics|August 24, 2014
Electronic structures and water reactivity of mixed metal sulfide cluster anionsArjun Saha, Krishnan RaghavachariJournal of Chemical Theory and Computation|October 10, 2019
Accurate pKa Evaluations for Complex Bio-Organic Molecules in Aqueous MediaBishnu Thapa, Krishnan RaghavachariJournal of Computational Chemistry|December 31, 2008
Predicting PH vibrations of gas phase molecules and surface-adsorbed species using bond length-frequency correlationsUjjal Das, Krishnan RaghavachariThe Journal of Chemical Physics|October 24, 2007
Interaction of water, methanol, and ammonia with AlxOy-: a comparative theoretical study of Al5O4- versus Al3O3-Ujjal Das, Krishnan RaghavachariJournal of Chemical Theory and Computation|November 18, 2015
Analysis of Different Fragmentation Strategies on a Variety of Large Peptides: Implementation of a Low Level of Theory in Fragment-Based Methods Can Be a Crucial FactorArjun Saha, Krishnan RaghavachariJournal of Chemical Theory and Computation|December 2, 2015
Al5O4: A Superatom with Potential for New Materials DesignUjjal Das, Krishnan RaghavachariThe Journal of Chemical Physics|December 21, 2023
Fragment-based models for dissociation of strong acids in water: Electrostatic embedding minimizes the dependence on the fragmentation schemesVikrant Tripathy, Krishnan RaghavachariJournal of Chemical Theory and Computation|April 17, 2024
Stepping-Stone CBH: Benchmark and Application of a Multilayered Isodesmic-Based Correction SchemeEric M Collins, Krishnan RaghavachariPageof 16