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Nalini D Gurav

Showing results (1-10 of 7) with videos related to

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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 ApproachSubodh 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 ClustersMini 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 fieldsNalini 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 clustersMini 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 ApproachSubodh 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 HandsApurba Nandi, Gabriel Laude, Subodh S Khire, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 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 ApproachSubodh 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 ClustersMini 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 fieldsNalini 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 clustersMini 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 ApproachSubodh 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 HandsApurba Nandi, Gabriel Laude, Subodh S Khire, et al.
Pageof 1