Publications by authors named "Nalini D Gurav"

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Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach.
Subodh S Khire, Nandini Gattadahalli, Nalini D Gurav, Anmol Kumar, Shridhar R Gadre

Chemphyschem· May 2023

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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, Nalini D Gurav, Chen Qu

J Am Chem Soc· May 2023

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Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clusters.
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, Milind M Deshmukh

Phys Chem Chem Phys· June 2022

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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, Shridhar R Gadre

J Phys Chem A· March 2022

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Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene Clusters.
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, Milind M Deshmukh

J Phys Chem A· July 2021

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Encaged molecules in external electric fields: A molecular "tug-of-war".
Nalini D Gurav, Shridhar P Gejji, Libero J Bartolotti, Rajeev K Pathak

J Chem Phys· August 2016

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CH3OH⋯(H2O)n [n = 1-4] clusters in external electric fields.
Nalini D Gurav, Anant D Kulkarni, Shridhar P Gejji, Rajeev K Pathak

J Chem Phys· June 2015

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