Subodh Khire

According to our database, Subodh Khire authored at least 4 papers between 2009 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

Hydrogen bond energy estimation (H-BEE) in large molecular clusters: A Python program for quantum chemical investigations.

Mini Bharati Ahirwar, Subodh Khire, Shridhar R. Gadre, Milind M. Deshmukh

J. Comput. Chem., 2024

2023

Development and testing of an algorithm for efficient MP2/CCSD(T) energy estimation of molecular clusters with the 2-body approach.

Subodh Khire, Shridhar R. Gadre

J. Comput. Chem., January, 2023

2022

MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at <i>ab initio</i> level.

Subodh Khire, Nityananda Sahu, Shridhar R. Gadre

Comput. Phys. Commun., 2022

2009

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

Ritwik Kavathekar, Subodh Khire, V. Ganesh, Anuja P. Rahalkar, Shridhar R. Gadre

J. Comput. Chem., 2009