Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr

par Mitin, Alexander V
Publié dans: Journal of computational chemistry (2013)

Quantum mechanical investigations of heme structure and vibrational spectra effects of conformation, oxidation state, and electric field

par Mitin, Alexander V
Publié dans: Langmuir : the ACS journal of surfaces and colloids (2009)

Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression

par Mitin, Alexander V
Publié dans: Journal of computational chemistry (2003)