Generation, contraction and polarization for gaussian basis set for quantum calculations...

Theoretical study the properties of ruthenium complexes containing diphosphine, mercaptoligands,...

Molecular modeling study of CB1 cannabinoid receptor and its interaction with de...

Theoretical study of chemistry proprieties of the hetero-macrocycle systems that...

Design of microtubule polymerization inhibitors: biological activity prediction from...

Quantitative structure-activity relationship study of combretastatin A4-like cha...

A study on the application of gaussian-type basis sets generated with the Genarator...

A rule for polarization of gaussian basis functions obtained with the generate coordinate...

Theoretical study on cationic dyes and models that explain the interaction with the...

Planning of quinone compounds with trypanocidal activity