Structural and electronic characterization of biogenic molecules emitted by the Am...
Effect of solvent on shielding tensor and coupling constant calculations of platin...
First-principles study of functional materials for energy storage: electrochemica...
Mechanistic studies in water oxidation catalysis promoted by ruthenium complexes b...
Density functional theory applyed to vibrational dynamics of crystals of ionic sys...
Conformational equilibria and intramolecular interactions for a series of amino-ac...