Exploring energetic, structural and kinetic aspects of chemical species using highly...

Theoretical study of reaction between methyl radicals and atomic nitrogen (4S): structural,...

Construction of the global potential energy surface of the [H,S,F] system

Theoretical study of the CAs radical and of the adsorption of As and AsH3 on diamond...

Chemical Adsorption of atoms on the C(100) 2 × 1 Diamond Surface: A Theoretical ...

Gas phase bimolecular reactions between halocarbons dications CX2+ (X = F, Cl, Br,...

Study of Structure, Chemical Bond, Thermochemical and Spectroscopy of the Systems...

Applications of Multireference Configuration Interaction Method to Electronic, Photoelectronic,...

Theoretical study of selenium compounds: structural, energetics, spectroscopic, and...

Momentum Space: Quantum Chemistry Models