A computational study on the hydrogen adsorption capacity of various lithium - Doped boron hydrides. - Sudip Pan; Santanab Giri; Pratim Kumar Chattaraj (J. Comput. Chem., 2012)

A coupled-cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au). - Sudip Pan; Ashutosh Gupta; Ranajit Saha; Gabriel Merino; Pratim Kumar Chattaraj (J. Comput. Chem., 2015)

Structure, stability, and nature of bonding in carbon monoxide bound EX3+ complexes (E = group 14 element; X = H, F, Cl, Br, I). - Manas Ghara; Sudip Pan; Anand Kumar; Gabriel Merino; Pratim Kumar Chattaraj (J. Comput. Chem., 2016)

Structure and stability of noble gas bound EX3+ compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br). - Sudip Pan; Diego Moreno; Sreyan Ghosh; Pratim Kumar Chattaraj; Gabriel Merino (J. Comput. Chem., 2016)

Bonding situations in tricoordinated beryllium phenyl complexes. - Lewis R. Thomas-Hargreaves; Yu-Qian Liu; Zhongma Cui; Sudip Pan; Magnus R. Buchner (J. Comput. Chem., 2023)

Clarification of Some Bonding Concepts: Virial Theorem, Electron Pair Repulsion, and Rotational Barriers. - W. H. Eugen Schwarz; Gernot Frenking; Sudip Pan (J. Comput. Chem., 2025)