| 1 |
Theoretical Study of Alkylsulfonic Acids: Force-Field Development and Molecular Dynamics Simulations
Liu JN, Dhumal NR, Kim HJ
Journal of Physical Chemistry B, 122(42), 9747, 2018 |
| 2 |
Dielectric Relaxation of the Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate: Microwave and Far-IR Properties
Dhumal NR, Kiefer J, Turton D, Wynne K, Kim HJ
Journal of Physical Chemistry B, 121(18), 4845, 2017 |
| 3 |
Revisiting the Aqueous Solutions of Dimethyl Sulfoxide by Spectroscopy in the Mid- and Near-Infrared: Experiments and Car-Parrinello Simulations
Wallace VM, Dhumal NR, Zehentbauer FM, Kim HJ, Kiefer J
Journal of Physical Chemistry B, 119(46), 14780, 2015 |
| 4 |
Molecular Structure and Interactions in the Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(Trifluoromethylsulfonyl)imide
Dhumal NR, Noack K, Kiefer J, Kim HJ
Journal of Physical Chemistry A, 118(13), 2547, 2014 |
| 5 |
Electronic Structure and Normal Vibrations of the 1-Ethyl-3-methylimidazolium Ethyl Sulfate Ion Pair
Dhumal NR, Kim HJ, Kiefer J
Journal of Physical Chemistry A, 115(15), 3551, 2011 |
| 6 |
Molecular Interactions in 1-Ethyl-3-methylimidazolium Acetate Ion Pair: A Density Functional Study
Dhumal NR, Kim HJ, Kiefer J
Journal of Physical Chemistry A, 113(38), 10397, 2009 |
| 7 |
Theoretical studies on blue versus red shifts in diglyme-M+-X- (M = Li, Na, and K and X = CF3SO3, PF6, and (CF3SO2)(2)N))
Dhumal NR, Gejji SP
Journal of Physical Chemistry A, 110(1), 219, 2006 |
| 8 |
Electronic structure and normal vibrations of CH3(OCH2CH2)(n)OCH3-M+-CF3SO3-(n=2-4, M = Li, Na, K)
Kaulgud TV, Dhumal NR, Gejji SP
Journal of Physical Chemistry A, 110(29), 9231, 2006 |
| 9 |
Red versus blue shifts in trimethylammoiumhexafluorosilicate
Dhumal NR, Gejji SP
Chemical Physics Letters, 393(4-6), 355, 2004 |
| 10 |
Theoretical investigations of the C-H...N interactions and molecular electrostatic potentials: aza derivatives of cubane
Dhumal NR, Gejji SP
Chemical Physics Letters, 397(1-3), 185, 2004 |
