Dr. Sergei F. Vyboishchikov
Institut de Química Computacional i Catalisi, Universitat de Girona, 17003 Girona
Ph.D. in Theoretical Chemistry, Philipps University of Marburg, Marburg, Germany. Graduation date: December 18th, 1996
Diploma (= Master of Sciences) Lomonosov Moscow State University, Moscow, Russia. Graduation: 1992
FIELDS OF RESEARCH:
· Density Functional Theory: development and applications; Electron density distribution in molecules and crystals;
· Quantum chemical calculations of main group and transition metal compounds: study of reaction mechanisms and catalytic cycles
· Confined atoms and molecules
· Atomic charges
· Energy decomposition schemes; analysis of bonding relationships.
· Vibrational motion of molecules.
· Solvent effects
· FORTRAN programming.