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The Journal of Physical Chemistry. A|April 30, 2013
High-level ab initio investigations on structures and energetics of N2O clustersSachin D Yeole, Nityananda Sahu, Shridhar R GadreThe Journal of Chemical Physics|August 28, 2012
Rapid topography mapping of scalar fields: large molecular clustersSachin D Yeole, Rafael López, Shridhar R GadreThe Journal of Chemical Physics|November 13, 2023
REAlgo: Rapid and efficient algorithm for estimating MP2/CCSD energy gradients for large molecular clustersSubodh S Khire, Takahito Nakajima, Shridhar R GadreThe Journal of Chemical Physics|September 9, 2004
Many-body interaction analysis: algorithm development and application to large molecular clustersAnant D Kulkarni, V Ganesh, Shridhar R GadreMolecules (Basel, Switzerland)|June 2, 2021
Electrostatic Potential Topology for Probing Molecular Structure, Bonding and ReactivityShridhar R Gadre, Cherumuttathu H Suresh, Neetha MohanThe Journal of Chemical Physics|December 24, 2008
Enabling ab initio Hessian and frequency calculations of large moleculesAnuja P Rahalkar, V Ganesh, Shridhar R GadrePhysical Chemistry Chemical Physics : PCCP|March 10, 2012
Structures, energetics and vibrational spectra of CO2 clusters through molecular tailoring and cluster building algorithmSachin D Yeole, Nityananda Sahu, Shridhar R GadreThe Journal of Physical Chemistry. A|April 29, 2024
Cluster-in-Cluster Approach for Computing MP2-Level Vibrational Infrared Spectra of Large Molecular ClustersSubodh S Khire, Takahito Nakajima, Shridhar R GadreThe Journal of Chemical Physics|July 31, 2023
Combining fragmentation method and high-performance computing: Geometry optimization and vibrational spectra of proteinsNityananda Sahu, Subodh S Khire, Shridhar R GadreThe Journal of Physical Chemistry. A|June 26, 2007
Intramolecular hydrogen bond energy in polyhydroxy systems: a critical comparison of molecular tailoring and isodesmic approachesMilind M Deshmukh, Cherumuttathu H Suresh, Shridhar R GadrePageof 10