Subodh S Khire

Subodh S Khire

University of Pune - Pune / India
Others
AD Scientific Index ID: 5686191
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person_outline Subodh S Khire's MOST POPULAR ARTICLES
1-) MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at ab initio levelSS Khire, N Sahu, SR GadreComputer Physics Communications 270, 108175, 2022212022
2-) Structures, energetics and vibrational spectra of (H2O) 32 clusters: a journey from model potentials to correlated theoryN Sahu, SS Khire, SR GadreMolecular Physics 113 (19-20), 2970-2979, 2015192015
3-) Ring-polymer instanton tunneling splittings of tropolone and isotopomers using a δ-machine learned ccsd (t) potential: Theory and experiment shake handsA Nandi, G Laude, SS Khire, ND Gurav, C Qu, R Conte, Q Yu, S Li, ...Journal of the American Chemical Society 145 (17), 9655-9664, 2023162023
4-) WebMTA: A web‐interface for ab initio geometry optimization of large molecules using molecular tailoring approachR Kavathekar, S Khire, V Ganesh, AP Rahalkar, SR GadreJournal of computational chemistry 30 (7), 1167-1173, 2009162009
5-) Harmonizing accuracy and efficiency: A pragmatic approach to fragmentation of large moleculesSS Khire, LJ Bartolotti, SR GadreThe Journal of Chemical Physics 149 (6), 2018152018