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Physical Chemistry Chemical Physics : PCCP|April 17, 2008
Molecular electrostatic potentials of divalent carbon(0) compoundsMilind M Deshmukh, Shridhar R Gadre, Ralf Tonner, et al.
The Journal of Chemical Physics|June 23, 2025
Assisting calculation of vibrational circular dichroism spectra by molecular tailoring approachSimran Sharma, Subodh S Khire, Shridhar R Gadre, et al.
Physical Chemistry Chemical Physics : PCCP|January 29, 2025
Cyclic cooperativity contributions determine the hydrogen bond strengths in molecular clustersAyush Shivhare, Bharti Dehariya, Shridhar R Gadre, et al.
Physical Chemistry Chemical Physics : PCCP|August 5, 2024
On the synergetic effects of cyclic cooperativity in water clustersAyush Shivhare, Bharti Dehariya, Shridhar R Gadre, et al.
The Journal of Chemical Physics|April 24, 2017
A combined theoretical and experimental study of phenol-(acetylene)<sub>n</sub> (n ≤ 7) clustersGurmeet Singh, Apurba Nandi, Shridhar R Gadre, et al.
The Journal of Physical Chemistry. A|February 16, 2022
Enabling Rapid and Accurate Construction of CCSD(T)-Level Potential Energy Surface of Large Molecules Using Molecular Tailoring ApproachSubodh S Khire, Nalini D Gurav, Apurba Nandi, et al.
The Journal of Physical Chemistry. A|October 6, 2021
Unusually Large Hydrogen-Bond Cooperativity in Hydrogen Fluoride Clusters, (HF)<sub></sub>, <i>n</i> = 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.
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