Showing results (11-20 of 91) with videos related to
Sort By:
Pageof 10
The Journal of Chemical Physics|December 3, 2008
Electrostatic guidelines and molecular tailoring for density functional investigation of structures and energetics of (Li)n clustersJovan Jose, Shridhar R GadreAccounts of Chemical Research|May 7, 2014
Molecular tailoring approach: a route for ab initio treatment of large clustersNityananda Sahu, Shridhar R GadreThe Journal of Chemical Physics|January 10, 2015
Accurate vibrational spectra via molecular tailoring approach: a case study of water clusters at MP2 levelNityananda Sahu, Shridhar R GadrePhysical Chemistry Chemical Physics : PCCP|May 20, 2015
On the electrostatic nature of electridesAnmol Kumar, Shridhar R GadreJournal of Chemical Theory and Computation|February 17, 2016
Exploring the Gradient Paths and Zero Flux Surfaces of Molecular Electrostatic PotentialAnmol Kumar, Shridhar R GadreJournal of Computational Chemistry|May 6, 2022
Development and testing of an algorithm for efficient MP2/CCSD(T) energy estimation of molecular clusters with the 2-body approachSubodh S Khire, Shridhar R GadreThe Journal of Physical Chemistry. A|May 24, 2019
Pragmatic Many-Body Approach for Economic MP2 Energy Estimation of Molecular ClustersSubodh S Khire, Shridhar R GadreThe Journal of Physical Chemistry. A|September 22, 2011
Topography of scalar fields: molecular clusters and π-conjugated systemsSachin D Yeole, Shridhar R GadreThe Journal of Physical Chemistry. A|January 26, 2007
Electrostatic potential minimum of the aromatic ring as a measure of substituent constantCherumuttathu H Suresh, Shridhar R GadreThe Journal of Physical Chemistry. A|June 6, 2009
Estimation of N-H...O=C intramolecular hydrogen bond energy in polypeptidesMilind M Deshmukh, Shridhar R GadrePageof 10