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The Journal of Physical Chemistry. A|October 28, 2014
Hydroxyl migration in heterotrimetallic clusters: an assessment of fluxionality pathwaysDebashis Adhikari, Krishnan RaghavachariOrganic Letters|May 6, 2017
Solving the Density Functional Conundrum: Elimination of Systematic Errors To Derive Accurate Reaction Enthalpies of Complex Organic ReactionsArkajyoti Sengupta, Krishnan RaghavachariJournal of Chemical Theory and Computation|August 15, 2023
EE-ONIOM-CT Method to Efficiently Account for the Missing Interactions in ONIOM: Energies and Analytic GradientsVikrant Tripathy, Krishnan RaghavachariThe Journal of Physical Chemistry. A|September 22, 2023
Investigating the Stacking Interactions Responsible for Driving 3D Self-Association of Tricarb MacrocyclesSibali Debnath, Krishnan RaghavachariJournal of Chemical Theory and Computation|October 10, 2019
Accurate pKa Evaluations for Complex Bio-Organic Molecules in Aqueous MediaBishnu Thapa, Krishnan RaghavachariScience'S STKE : Signal Transduction Knowledge Environment|October 13, 2006
A unified model of the presynaptic and postsynaptic changes during LTP at CA1 synapsesJohn Lisman, Sridhar 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 RaghavachariPageof 46