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Dr. Anant D. Kulkarni, Ph. D. MRSC
Dr. Anant D. Kulkarni, Ph. D. MRSC
Faculty Member, Department of Polymer Science, SKSC, Somaiya Vidyavihar University, Mumbai
Verified email at somaiya.edu
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
5732001
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
1542011
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
1472009
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
1112012
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
972002
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
782002
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
672008
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
672004
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
502005
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), 2013
442013
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
422004
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
412007
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
382011
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
372010
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
372006
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
302011
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
262014
Examining the robustness of first-principles calculations for metal hydride reaction thermodynamics by detection of metastable reaction pathways
KC Kim, AD Kulkarni, JK Johnson, DS Sholl
Physical Chemistry Chemical Physics 13 (48), 21520-21529, 2011
132011
Quantum chemical and electrostatic studies of anionic water clusters,(H2O) n
AD Kulkarni, SR Gadre, S Nagase
Journal of Molecular Structure: THEOCHEM 851 (1-3), 213-219, 2008
132008
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
132006
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Articles 1–20