Showing results (51-60 of 91) with videos related to

Sort By:
Pageof 10
The Journal of Physical Chemistry. A|November 4, 2010
Appraisal of through-bond and through-space substituent effects via molecular electrostatic potential topographyFareed Bhasha Sayyed, Cherumuttathu H Suresh, Shridhar R Gadre
The Journal of Chemical Physics|December 21, 2004
Molecular interpretation of water structuring and destructuring effects: hydration of alkanediolsMilind M Deshmukh, Nandhibatla V Sastry, Shridhar R Gadre
Journal of Computational Chemistry|November 3, 2017
Electrostatics for probing lone pairs and their interactionsPadinjare Veetil Bijina, Cherumuttathu H Suresh, Shridhar R Gadre
The Journal of Physical Chemistry. A|November 10, 2006
Estimation of intramolecular hydrogen bond energy via molecular tailoring approachMilind M Deshmukh, Shridhar R Gadre, Libero J Bartolotti
The Journal of Physical Chemistry. A|August 14, 2020
Direct and Reliable Method for Estimating the Hydrogen Bond Energies and Cooperativity in Water Clusters, W<sub></sub>, <i>n</i> = 3 to 8Mini Bharati Ahirwar, Shridhar R Gadre, Milind M Deshmukh
The Journal of Physical Chemistry. A|July 22, 2024
Molecular Tailoring Approach for the Direct Estimation of Individual Noncovalent Interaction Energies in Molecular SystemsMini Bharati Ahirwar, Shridhar R Gadre, Milind M Deshmukh
The Journal of Physical Chemistry. A|December 31, 2013
Lone pairs: an electrostatic viewpointAnmol Kumar, Shridhar R Gadre, Neetha Mohan, et al.
Physical Chemistry Chemical Physics : PCCP|October 3, 2013
Molecular electrostatics for probing lone pair-π interactionsNeetha Mohan, Cherumuttathu H Suresh, Anmol Kumar, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 11, 2026
Extending the Molecular Tailoring Approach for Reliable and Efficient Nuclear Magnetic Resonance Spectral CalculationsSimran Sharma, Subodh S Khire, Shridhar R Gadre, et al.
Journal of Computational Chemistry|July 24, 2010
Molecular tailoring approach in conjunction with MP2 and Ri-MP2 codes: A comparison with fragment molecular orbital methodAnuja P Rahalkar, Michio Katouda, Shridhar R Gadre, et al.
Pageof 10