WebMTA: A web-interface for ab initio 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)

MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at ab initio level. - Subodh Khire; Nityananda Sahu; Shridhar R. Gadre (Comput. Phys. Commun., 2022)

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., 2023)

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)