Configuration interaction and density functional study of the influence of lithium cation complexation on vertical and adiabatic excitation energies of enones. - Raghavan B. Sunoj; P. Lakshminarasimhan; V. Ramamurthy; J. Chandrasekhar (J. Comput. Chem., 2001)

ReactAIvate: A Deep Learning Approach to Predicting Reaction Mechanisms and Unmasking Reactivity Hotspots. - Ajnabiul Hoque; Manajit Das; Mayank Baranwal; Raghavan B. Sunoj (ECAI, 2024)

Advances in machine learning with chemical language models in molecular property and reaction outcome predictions. - Manajit Das; Ankit Ghosh; Raghavan B. Sunoj (J. Comput. Chem., 2024)