Anant D. Kulkarni
Anant D. Kulkarni
Associate Professor, Mewar University, Chittorgarh
Verified email at mewaruniversity.co.in
Title
Cited by
Cited by
Year
Structure and Stability of Water Clusters (H2O)n, n = 8−20:  An Ab Initio Investigation
S Maheshwary, N Patel, N Sathyamurthy, AD Kulkarni, SR Gadre
The Journal of Physical Chemistry A 105 (46), 10525-10537, 2001
4572001
Adsorption and diffusion of light gases in ZIF-68 and ZIF-70: a simulation study
RB Rankin, J Liu, AD Kulkarni, JK Johnson
The Journal of Physical Chemistry C 113 (39), 16906-16914, 2009
1352009
Performance of density functional theory and Møller–Plesset second-order perturbation theory for structural parameters in complexes of Ru
AD Kulkarni, DG Truhlar
Journal of chemical theory and computation 7 (7), 2325-2332, 2011
1232011
H− π Complexes of Acetylene− Ethylene: A Matrix Isolation and Computational Study
K Sundararajan, K Sankaran, KS Viswanathan, AD Kulkarni, SR Gadre
The Journal of Physical Chemistry A 106 (8), 1504-1510, 2002
882002
H⋯ π complexes of acetylene–benzene: a matrix isolation and computational study
K Sundararajan, KS Viswanathan, AD Kulkarni, SR Gadre
Journal of molecular structure 613 (1-3), 209-222, 2002
712002
Oxygen Interactions with Silica Surfaces: Coupled Cluster and Density Functional Investigation and the Development of a New ReaxFF Potential
AD Kulkarni, DG Truhlar, S Goverapet Srinivasan, ACT van Duin, ...
The Journal of Physical Chemistry C 117 (1), 258-269, 2012
612012
Water clusters (H2O)n, n= 6–8, in external electric fields
D Rai, AD Kulkarni, SP Gejji, RK Pathak
The Journal of chemical physics 128, 034310, 2008
602008
Many-body interaction analysis: Algorithm development and application to large molecular clusters
AD Kulkarni, V Ganesh, SR Gadre
The Journal of chemical physics 121 (11), 5043-5050, 2004
602004
Structures, Energetics, and Vibrational Spectra of H2O2⊙⊙⊙(H2O) n, n= 1-6 Clusters: Ab Initio Quantum Chemical Investigations
AD Kulkarni, RK Pathak, LJ Bartolotti
The Journal of Physical Chemistry A 109 (20), 4583-4590, 2005
402005
Electric field effects on aromatic and aliphatic hydrocarbons: a density-functional study
D Rai, H Joshi, AD Kulkarni, SP Gejji, RK Pathak
The Journal of Physical Chemistry A 111 (37), 9111-9121, 2007
372007
Exploring hydration patterns of aldehydes and amides: Ab initio investigations
AD Kulkarni, K Babu, SR Gadre, LJ Bartolotti
The Journal of Physical Chemistry A 108 (13), 2492-2498, 2004
362004
First-Principles Characterization of Amorphous Phases of MB12H12, M = Mg, Ca
AD Kulkarni, LL Wang, DD Johnson, DS Sholl, JK Johnson
The Journal of Physical Chemistry C 114 (34), 14601-14605, 2010
342010
Effect of additional hydrogen peroxide to HO⋯(HO), n= 1 and 2 complexes: Quantum chemical study
AD Kulkarni, RK Pathak, LJ Bartolotti
The Journal of Chemical Physics 124, 214309, 2006
322006
Large-scale screening of metal hydrides for hydrogen storage from first-principles calculations based on equilibrium reaction thermodynamics
KC Kim, AD Kulkarni, JK Johnson, DS Sholl
Physical Chemistry Chemical Physics 13 (15), 7218-7229, 2011
312011
Exploring electric field induced structural evolution of water clusters, (H2O)n [n = 9–20]: Density functional approach
D Rai, AD Kulkarni, SP Gejji, LJ Bartolotti, RK Pathak
The Journal of chemical physics 138 (4), 034310, 2013
302013
Methanol clusters (CH3OH) n, n = 3-6 in external electric fields: Density functional theory approach
D RAI, AD KULKARNI, SP GEJJI, RK PATHAK
The Journal of chemical physics 135 (2), 2011
212011
Water clusters (H2O) n [n= 9–20] in external electric fields: exotic OH stretching frequencies near breakdown
LJ Bartolotti, D Rai, AD Kulkarni, SP Gejji, RK Pathak
Computational and Theoretical Chemistry 1044, 66-73, 2014
202014
Influence of a Counterion on the Ion Atmosphere of an Anion: A Molecular Dynamics Study of LiX and CsX (X = F, Cl, I) in Methanol
P Kumar, AD Kulkarni, S Yashonath
The Journal of Physical Chemistry B 119 (34), 10921-10933, 2015
112015
Interaction of peroxyformic acid with water molecules: a first-principles study
AD Kulkarni, D Rai, LJ Bartolotti, RK Pathak
The Journal of Physical Chemistry A 110 (42), 11855-11861, 2006
102006
Microsolvation of methyl hydrogen peroxide: Ab initio quantum chemical approach
AD Kulkarni, D Rai, LJ Bartolotti, RK Pathak
The Journal of chemical physics 131 (5), 054310, 2009
92009
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