Dr. Anant D. Kulkarni

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Citations	1457	508
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Shridhar GadreDistinguished Professor, SPPU, PuneVerified email at iitk.ac.in
Dhurba RaiPostdoc, University of California, San DiegoVerified email at ucsd.edu
Shridhar GejjiProfessor of Chemistry, Savitribai Phule Pune UniversityVerified email at chem.unipune.ac.in
J. Karl Johnsonprofessor of chemcial engineering, university of pittsburghVerified email at pitt.edu
David S. ShollSchool Chair, Michael Tennenbaum Family Chair and GRA Eminent Scholar in Energy Sustainability, Georgia Institute of TechnologyVerified email at chbe.gatech.edu
Donald TruhlarUniversity of MinnesotaVerified email at umn.edu
Rees Rankin (Rees B Rankin, or RB R...Assistant Professor @ Dept. of Chemical EngineeringVerified email at villanova.edu
Ki Chul KimGeorgia Institute of TechnologyVerified email at konkuk.ac.kr
Ganesh VIndependent ResearcherVerified email at acm.org
Adri van DuinProfessor of Mechanical Engineering, Penn State UniversityVerified email at psu.edu
Paul E NormanGraduate Student, University of MinnesotaVerified email at umn.edu
Sriram Goverapet SrinivasanGraduate student at Penn State UniversityVerified email at psu.edu
Tom SchwartzentruberProfessor of Aerospace Engineering and Mechanics, University of MinnesotaVerified email at aem.umn.edu
Duane D. JohnsonIowa State University; Ames Lab; UIUC; Sandia Laboratories; NRL; U. BristolVerified email at ameslab.gov
Lin-Lin WangScientist II, Ames LaboratoryVerified email at ameslab.gov
Yashonath SubramanianIndian Instiute of ScienceVerified email at sscu.iisc.ernet.in
Parveen KumarWRI India, New DelhiVerified email at wri.org
Benedetta MennucciDepartment of Chemistry, University of PisaVerified email at dcci.unipi.it
Harshad JoshiBioinformatics Specialist, Infinity Biologix

Dr. Anant D. Kulkarni

Faculty Member, Somaiya Vidyavihar University, Mumbai

Verified email at somaiya.edu

quantum chemistry computational chemistry density functional theory modeling and simulation electronic structure


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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	473	2001
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	137	2009
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	126	2011
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	88	2002
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	72	2002
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	62	2004
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	61	2012
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	60	2008
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	41	2005
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	36	2007
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	36	2004
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	35	2010
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	33	2006
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	32	2013
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	32	2011
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	23	2011
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	20	2014
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	11	2006
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	10	2015
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	10	2008

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