Donor→acceptor coordination interactions in 1, 3-bis(NHC)triazenyl Cations: An electronic structure analysis. - Tejender Singh; Prasad V. Bharatam (J. Comput. Chem., 2019)

Divalent NI Compounds: Identifying new Carbocyclic Carbenes to Design Nitreones using Quantum Chemical Methods. - Neha Patel; Minhajul Arfeen; Tejender Singh; Shweta Bhagat; Ajay Sakhare; Prasad V. Bharatam (J. Comput. Chem., 2020)

The importance of four-membered NHCs in stabilizing Breslow intermediates on benzoin condensation pathway. - Gurudutt Dubey; Tejender Singh; Prasad V. Bharatam (J. Comput. Chem., 2023)