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The Journal of Physical Chemistry. A|August 22, 2019
Electrostatics-Assisted Building-Up Procedure for Capturing Energy Minima of Metal Clusters: Test Case of Ag ClustersPrateek Ahuja, Mohammad Molayem, Shridhar R Gadre
The Journal of Physical Chemistry. A|October 5, 2013
Exploring structures and energetics of large OCS clusters by correlated methodsNityananda Sahu, Gurmeet Singh, Shridhar R Gadre
The Journal of Physical Chemistry. A|October 9, 2009
Stepwise hydration of protonated carbonic acid: a theoretical studyM Prakash, V Subramanian, Shridhar R Gadre
The Journal of Chemical Physics|March 22, 2013
Appraisal of molecular tailoring approach for large clustersNityananda Sahu, Sachin D Yeole, Shridhar R Gadre
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 Gadre
The Journal of Chemical Physics|August 28, 2012
Rapid topography mapping of scalar fields: large molecular clustersSachin D Yeole, Rafael López, Shridhar R Gadre
The 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 Gadre
The 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 Gadre
Molecules (Basel, Switzerland)|June 2, 2021
Electrostatic Potential Topology for Probing Molecular Structure, Bonding and ReactivityShridhar R Gadre, Cherumuttathu H Suresh, Neetha Mohan
The Journal of Chemical Physics|December 24, 2008
Enabling ab initio Hessian and frequency calculations of large moleculesAnuja P Rahalkar, V Ganesh, Shridhar R Gadre
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