Subodh S. Khire
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WebMTA: A web‐interface for ab initio geometry optimization of large molecules using molecular tailoring approach
R Kavathekar, S Khire, V Ganesh, AP Rahalkar, SR Gadre
Journal of computational chemistry 30 (7), 1167-1173, 2009
Structures, energetics and vibrational spectra of (H2O) 32 clusters: a journey from model potentials to correlated theory
N Sahu, SS Khire, SR Gadre
Molecular Physics 113 (19-20), 2970-2979, 2015
Harmonizing accuracy and efficiency: A pragmatic approach to fragmentation of large molecules
SS Khire, LJ Bartolotti, SR Gadre
The Journal of Chemical Physics 149 (6), 064112, 2018
Pragmatic many-body approach for economic MP2 energy estimation of molecular clusters
SS Khire, SR Gadre
The Journal of Physical Chemistry A 123 (23), 5005-5011, 2019
Harnessing desktop computers for ab initio calculation of vibrational IR/Raman spectra of large molecules
SS Khire, N Sahu, SR Gadre
Journal of Chemical Sciences 130 (11), 159, 2018
A density functional investigation on the structures, energetics, and properties of sodium clusters through electrostatic guidelines and molecular tailoring
KVJ Jose, SS Khire, SR Gadre
Aromaticity and Metal Clusters, 215-236, 2010
Eleven years of Dr DS Kothari Postdoctoral Fellowship scheme of the University Grants Commission
RA Kale, SS Khire, SK Hode, DS Joag, SR Gadre
CURRENT SCIENCE 118 (3), 352, 2020
On the cation–$$\uppi $$ interactions in 1, 2-dihydro-1, 2-azaborine
SD Yeole, SS Khire, CH Sarode, KD Patil
Journal of Chemical Sciences 130 (8), 103, 2018
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