1. Dr. Vijay Singh

 Thesis Title:  Activation of Small Molecules by Novel Nickel Catalyst: Theoretical Prediction of Catalyst, Reaction Mechanism and Understanding of Electronic Structure

https://shodhganga.inflibnet.ac.in/handle/10603/277070    or http://hdl.handle.net/10603/277070 

2. Dr. Mini Bharati Ahirwar

Thesis Title: Development of Quantum Mechanical Methods for the Energetics  of Individual Non-covalent Interactions in Molecular Clusters.

https://shodhganga.inflibnet.ac.in/handle/10603/584496   or http://hdl.handle.net/10603/584496

3. Dr. Deepak

 Thesis Title: Quantum Chemical Studies on the Mixed Molecular Clusters: Quantitative Estimates of Hydrogen Bond Strength and Cooperativity

https://shodhganga.inflibnet.ac.in/handle/10603/585468     or    http://hdl.handle.net/10603/585468 

4. Bharti Dehariya  

Thesis Title: Development of Computational Methods for the Determination of Energy of Non-Covalent Interactions in Molecular

Crystals.

https://shodhganga.inflibnet.ac.in/handle/10603/702921      or     http://hdl.handle.net/10603/702921

5. Ayush Shivhare

Thesis Title: Quantum Chemical Investigations into the Synergistic Hydrogen Bond Cooperative Effects in Molecular Clusters

(Submitted: January 2026)