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The Journal of Physical Chemistry. A
|
June 28, 2019
Molecular Hydration of Carbonic Acid: Ab Initio Quantum Chemical and Density Functional Theory Investigation
Anant D Kulkarni
Journal of Computational Chemistry
|
July 28, 2025
Molecular Tailoring Approach (MTA) Assisted Density Functional Theory Study for Large Core and Core-Shell Nanocluster Quantum Dots
Anant D Kulkarni
Journal of Chemical Theory and Computation
|
November 26, 2015
Performance of Density Functional Theory and Møller-Plesset Second-Order Perturbation Theory for Structural Parameters in Complexes of Ru
Anant D Kulkarni, Donald G Truhlar
The Journal of Physical Chemistry. B
|
May 12, 2015
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
Parveen Kumar, Anant D Kulkarni, S Yashonath
Journal of Chemical Theory and Computation
|
December 2, 2015
Response of Scalar Fields and Hydrogen Bonding to Excited-State Molecular Solvation of Carbonyl Compounds
Anant D Kulkarni, Benedetta Mennucci, Jacopo Tomasi
The Journal of Chemical Physics
|
September 9, 2004
Many-body interaction analysis: algorithm development and application to large molecular clusters
Anant D Kulkarni, V Ganesh, Shridhar R Gadre
The Journal of Chemical Physics
|
June 16, 2006
Effect of additional hydrogen peroxide to H2O2...(H2O)n, n=1 and 2 complexes: quantum chemical study
Anant D Kulkarni, Rajeev K Pathak, Libero J Bartolotti
The Journal of Physical Chemistry. A
|
July 13, 2006
Structures, energetics, and vibrational spectra of H2O2...(H2O)n, n = 1-6 clusters: Ab initio quantum chemical investigations
Anant D Kulkarni, Rajeev K Pathak, Libero J Bartolotti
The Journal of Chemical Physics
|
January 22, 2008
Water clusters (H2O)n, n=6-8, in external electric fields
Dhurba Rai, Anant D Kulkarni, Shridhar P Gejji, et al.
The Journal of Chemical Physics
|
August 14, 2009
Microsolvation of methyl hydrogen peroxide: ab initio quantum chemical approach
Anant D Kulkarni, Dhurba Rai, Libero J Bartolotti, et al.
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of 2
Search research articles
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Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
June 28, 2019
Molecular Hydration of Carbonic Acid: Ab Initio Quantum Chemical and Density Functional Theory Investigation
Anant D Kulkarni
Journal of Computational Chemistry
|
July 28, 2025
Molecular Tailoring Approach (MTA) Assisted Density Functional Theory Study for Large Core and Core-Shell Nanocluster Quantum Dots
Anant D Kulkarni
Journal of Chemical Theory and Computation
|
November 26, 2015
Performance of Density Functional Theory and Møller-Plesset Second-Order Perturbation Theory for Structural Parameters in Complexes of Ru
Anant D Kulkarni, Donald G Truhlar
The Journal of Physical Chemistry. B
|
May 12, 2015
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
Parveen Kumar, Anant D Kulkarni, S Yashonath
Journal of Chemical Theory and Computation
|
December 2, 2015
Response of Scalar Fields and Hydrogen Bonding to Excited-State Molecular Solvation of Carbonyl Compounds
Anant D Kulkarni, Benedetta Mennucci, Jacopo Tomasi
The Journal of Chemical Physics
|
September 9, 2004
Many-body interaction analysis: algorithm development and application to large molecular clusters
Anant D Kulkarni, V Ganesh, Shridhar R Gadre
The Journal of Chemical Physics
|
June 16, 2006
Effect of additional hydrogen peroxide to H2O2...(H2O)n, n=1 and 2 complexes: quantum chemical study
Anant D Kulkarni, Rajeev K Pathak, Libero J Bartolotti
The Journal of Physical Chemistry. A
|
July 13, 2006
Structures, energetics, and vibrational spectra of H2O2...(H2O)n, n = 1-6 clusters: Ab initio quantum chemical investigations
Anant D Kulkarni, Rajeev K Pathak, Libero J Bartolotti
The Journal of Chemical Physics
|
January 22, 2008
Water clusters (H2O)n, n=6-8, in external electric fields
Dhurba Rai, Anant D Kulkarni, Shridhar P Gejji, et al.
The Journal of Chemical Physics
|
August 14, 2009
Microsolvation of methyl hydrogen peroxide: ab initio quantum chemical approach
Anant D Kulkarni, Dhurba Rai, Libero J Bartolotti, et al.
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of 2