Showing results (41-50 of 132) with videos related to
Sort By:
Pageof 14
Physical 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 GadreThe Journal of Physical Chemistry. A|June 29, 2016
Toward an Accurate and Inexpensive Estimation of CCSD(T)/CBS Binding Energies of Large Water ClustersNityananda Sahu, Gurmeet Singh, Apurba Nandi, et al.The Journal of Physical Chemistry. A|December 19, 2007
Intramolecular hydrogen bonding and cooperative interactions in carbohydrates via the molecular tailoring approachMilind M Deshmukh, Libero J Bartolotti, Shridhar R GadreThe Journal of Organic Chemistry|March 23, 2023
Electrostatic Potential for Exploring Electron Delocalization in Infinitenes, Circulenes, and NanobeltsPuthannur K Anjalikrishna, Shridhar R Gadre, Cherumuttathu H SureshPhysical Chemistry Chemical Physics : PCCP|September 18, 2023
Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon-carbon bond continuumPuthannur K Anjalikrishna, Shridhar R Gadre, Cherumuttathu H SureshJournal of Computational Chemistry|July 28, 2011
Intramolecular hydrogen bond energy and cooperative interactions in α-, β-, and γ-cyclodextrin conformersMilind M Deshmukh, Libero J Bartolotti, Shridhar R GadreThe Journal of Physical Chemistry. A|October 25, 2019
Electrostatic Topographical Viewpoint of π-Conjugation and Aromaticity of HydrocarbonsPuthannur K Anjalikrishna, Cherumuttathu H Suresh, Shridhar R GadrePageof 14