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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|April 29, 2011
Electronic structure, molecular electrostatic potential and hydrogen bonding in DMSO-X complexes (X = ethanol, methanol and water)Nilesh R DhumalThe Journal of Physical Chemistry. A|January 6, 2006
Theoretical studies on blue versus red shifts in diglyme-M+-X- (M=Li, Na, and K and X=CF3SO3, PF6, and (CF3SO2)2N))Nilesh R Dhumal, Shridhar P GejjiThe Journal of Physical Chemistry. B|September 26, 2018
Theoretical Study of Alkylsulfonic Acids: Force-Field Development and Molecular Dynamics SimulationsJiannan Liu, Nilesh R Dhumal, Hyung J KimThe Journal of Physical Chemistry. A|August 29, 2009
Molecular interactions in 1-ethyl-3-methylimidazolium acetate ion pair: a density functional studyNilesh R Dhumal, Hyung J Kim, Johannes KieferThe Journal of Physical Chemistry. A|March 31, 2011
Electronic structure and normal vibrations of the 1-ethyl-3-methylimidazolium ethyl sulfate ion pairNilesh R Dhumal, Hyung J Kim, Johannes KieferPhysical Chemistry Chemical Physics : PCCP|December 16, 2016
CO<sub>2</sub> capture in ionic liquid 1-alkyl-3-methylimidazolium acetate: a concerted mechanism without carbeneFangyong Yan, Nilesh R Dhumal, Hyung J KimJournal of Computational Chemistry|July 29, 2025
Revealing the Effect of Hindered Weak Electrostatic Interactions of the Alkane Chain Length in the Imidazolium Chloride Ionic Liquids: A Molecular Electrostatic Potential StudyMary S Richardson, Ava Augustine, Nilesh R DhumalThe Journal of Chemical Physics|July 23, 2004
Molecular electrostatic potentials and electron densities in nitroazacubanesNilesh R Dhumal, Ujwala N Patil, Shridhar P GejjiThe Journal of Physical Chemistry. A|July 21, 2006
Electronic structure and normal vibrations of CH3(OCH2CH2)nOCH3-M+-CF3SO3- (n = 2-4, M = Li, Na, and K)Trupta V Kaulgud, Nilesh R Dhumal, Shridhar P GejjiSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|November 23, 2006
Theoretical studies on NMR chemical shifts in azacubanesRahul V Pinjari, Nilesh R Dhumal, Shridhar P GejjiPageof 2