Showing results (71-80 of 132) with videos related to
Sort By:
Pageof 14
The Journal of Physical Chemistry. A|October 6, 2021
Unusually Large Hydrogen-Bond Cooperativity in Hydrogen Fluoride Clusters, (HF), n = 3 to 8, Revealed by the Molecular Tailoring ApproachDeepak Patkar, Mini Bharati Ahirwar, Shridhar R Gadre, et al.The Journal of Physical Chemistry. A|March 14, 2012
Hydrogen bond energies and cooperativity in substituted calix[n]arenes (n = 4, 5)Jayshree K Khedkar, Milind M Deshmukh, Shridhar R Gadre, et al.The Journal of Physical Chemistry. A|July 26, 2008
Structure, energetics, and reactivity of boric acid nanotubes: a molecular tailoring approachM Elango, V Subramanian, Anuja P Rahalkar, et al.Journal of Computational Chemistry|October 24, 2008
WebMTA: a web-interface for ab initio geometry optimization of large molecules using molecular tailoring approachRitwik Kavathekar, Subodh Khire, V Ganesh, et al.The Journal of Chemical Physics|November 2, 2010
Ab initio investigation of benzene clusters: molecular tailoring approachA Subha Mahadevi, Anuja P Rahalkar, Shridhar R Gadre, et al.Inorganic Chemistry|September 14, 2004
Structure, reactivity and aromaticity of acenes and their BN analogues: a density functional and electrostatic investigationAshwini Kumar Phukan, Rashmi P Kalagi, Shridhar R Gadre, et al.Physical Chemistry Chemical Physics : PCCP|June 17, 2022
Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clustersMini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, et al.Journal of Computational Chemistry|October 4, 2023
Hydrogen bond energy estimation (H-BEE) in large molecular clusters: A Python program for quantum chemical investigationsMini Bharati Ahirwar, Subodh S Khire, Shridhar R Gadre, et al.The Journal of Physical Chemistry. A|July 12, 2021
Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene ClustersMini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, et al.The Journal of Chemical Physics|September 18, 2007
Effect of matrix on IR frequencies of acetylene and acetylene-methanol complex: infrared matrix isolation and ab initio studyK V Jovan Jose, Shridhar R Gadre, K Sundararajan, et al.Pageof 14