Mini Bharati Ahirwar

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 2

Top Topics

High Efficiency

Clustering Algorithm

Chemical Reaction

Virtual Screening

Top Venues

J. Comput. Chem.

Publications

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)
Mini Bharati Ahirwar, Milind M. Deshmukh
Fragments-in-fragments method for efficient and reliable estimates of individual hydrogen bond energies in large molecular clusters. J. Comput. Chem. 44 (23) (2023)