Concepedia

Subodh S. Khire

SS

8

Publications

179

Citations

8

H-Index

2008

Active since

Affiliations

Savitribai Phule Pune University(Current)

Emory University

Atlanta University Center

Emerson (United States)

RIKEN Center for Computational Science

Subodh S. Khire is an author at Savitribai Phule Pune University specializing in quantum chemistry, natural sciences, and engineering.

Top concepts

PhysicsChemistryEngineeringNatural SciencesQuantum ChemistryPhysical ChemistryComputational ChemistryHydrogenBiophysicsSpectroscopy

Publications per year

2008–2023

8

Publications

8

MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at ab initio level

Subodh S. Khire, Nityananda Sahu, Shridhar R. Gadre · Computer Physics Communications · 2021 · 57 citations

Molecular Spectroscopy, Engineering, Physics +13

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. · Journal of the American Chemical Society · 2023 · 29 citations · Full text

Engineering, Molecule-based Material, 15-Atom Cyclic Molecule +17

Structures, energetics and vibrational spectra of (H<sub>2</sub>O)<sub>32</sub>clusters: a journey from model potentials to correlated theory

Nityananda Sahu, Subodh S. Khire, Shridhar R. Gadre · Molecular Physics · 2015 · 19 citations

Engineering, Model Potentials, Computational Chemistry +18

Harmonizing accuracy and efficiency: A pragmatic approach to fragmentation of large molecules

Subodh S. Khire, Libero J. Bartolotti, Shridhar R. Gadre · The Journal of Chemical Physics · 2018 · 19 citations

WebMTA: A web‐interface for <i>ab initio</i> geometry optimization of large molecules using molecular tailoring approach

Ritwik S. Kavathekar, Subodh S. Khire, V. Ganesh et al. · Journal of Computational Chemistry · 2008 · 16 citations · Full text

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