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Subodh Khire
ORCID
Publication Activity (10 Years)
Years Active: 2009-2024
Publications (10 Years): 3
Top Topics
Minimum Energy
Estimation Algorithm
Quantum Mechanics
Dense Regions
Top Venues
J. Comput. Chem.
Comput. Phys. Commun.
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Publications
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Mini Bharati Ahirwar
,
Subodh Khire
,
Shridhar R. Gadre
,
Milind M. Deshmukh
Hydrogen bond energy estimation (H-BEE) in large molecular clusters: A Python program for quantum chemical investigations.
J. Comput. Chem.
45 (5) (2024)
Subodh Khire
,
Shridhar R. Gadre
Development and testing of an algorithm for efficient MP2/CCSD(T) energy estimation of molecular clusters with the 2-body approach.
J. Comput. Chem.
44 (3) (2023)
Subodh Khire
,
Nityananda Sahu
,
Shridhar R. Gadre
level.
Comput. Phys. Commun.
270 (2022)
Ritwik Kavathekar
,
Subodh Khire
,
V. Ganesh
,
Anuja P. Rahalkar
,
Shridhar R. Gadre
geometry optimization of large molecules using molecular tailoring approach.
J. Comput. Chem.
30 (7) (2009)