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The Journal of Physical Chemistry. A
|
February 16, 2022
Enabling Rapid and Accurate Construction of CCSD(T)-Level Potential Energy Surface of Large Molecules Using Molecular Tailoring Approach
Subodh S Khire, Nalini D Gurav, Apurba Nandi, et al.
The Journal of Chemical Physics
|
August 22, 2016
Encaged molecules in external electric fields: A molecular "tug-of-war"
Nalini D Gurav, Shridhar P Gejji, Libero J Bartolotti, et al.
The Journal of Physical Chemistry. A
|
July 12, 2021
Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene Clusters
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, et al.
The Journal of Chemical Physics
|
June 8, 2015
CH3OH⋯(H2O)n [n = 1-4] clusters in external electric fields
Nalini D Gurav, Anant D Kulkarni, Shridhar P Gejji, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2022
Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clusters
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 3, 2023
Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach
Subodh S Khire, Nandini Gattadahalli, Nalini D Gurav, et al.
Journal of the American Chemical Society
|
April 20, 2023
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands
Apurba Nandi, Gabriel Laude, Subodh S Khire, et al.
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Search research articles
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Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. A
|
February 16, 2022
Enabling Rapid and Accurate Construction of CCSD(T)-Level Potential Energy Surface of Large Molecules Using Molecular Tailoring Approach
Subodh S Khire, Nalini D Gurav, Apurba Nandi, et al.
The Journal of Chemical Physics
|
August 22, 2016
Encaged molecules in external electric fields: A molecular "tug-of-war"
Nalini D Gurav, Shridhar P Gejji, Libero J Bartolotti, et al.
The Journal of Physical Chemistry. A
|
July 12, 2021
Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene Clusters
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, et al.
The Journal of Chemical Physics
|
June 8, 2015
CH3OH⋯(H2O)n [n = 1-4] clusters in external electric fields
Nalini D Gurav, Anant D Kulkarni, Shridhar P Gejji, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2022
Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clusters
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 3, 2023
Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach
Subodh S Khire, Nandini Gattadahalli, Nalini D Gurav, et al.
Journal of the American Chemical Society
|
April 20, 2023
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands
Apurba Nandi, Gabriel Laude, Subodh S Khire, et al.
Page
of 1