247 citations · 642 across the 18 of their papers we have counts for
3 papers · 1 filter
Hydrogen (H2) Storage in Clathrate Hydrates
Pratim Kumar Chattaraj, Sateesh Bandaru, Sukanta Mondal
Structure, stability and reactivity of clathrate hydrates with or without hydrogen encapsulation are studied using standard density functional calculations. Conceptual density func…
Analyzing the Efficiency of Mn-(C2H4) (M = Sc, Ti, Fe, Ni; n = 1, 2) Complexes as Effective Hydrogen Storage Materials
Arindam Chakraborty, Santanab Giri, Pratim Kumar Chattaraj
Hydrogen trapping ability of various metal - ethylene complexes has been studied at the B3LYP and MP2 level of theory using the 6-311+G(d,p) basis set. Different global and local r…
Electrophilicity Equalization Principle
Pratim Kumar Chattaraj, Santanab Giri, Soma Duley
A new electronic structure principle, viz., the principle of electrophilicity equalization is proposed. An analytical justification as well as a numerical support for the same is p…