Computational and Theoretical Chemistry Lab
Galina Orlova
Associate Professor
Department of Chemistry
St. Francis Xavier University
Antigonish, NS, B2G 2W5, Canada
Office: PSC 3026
Lab:    PSC 3062

Voice: (902) 867-5237
FAX:   (902) 867-2414
Research Experience:
Rostov University, Russia, 1981-1998 (R. Minyaev)
Southern Illinois University at Carbondale 1996/97 (S. Scheiner)
University at Guelph 1998/2002 (J. D. Goddard)
York University 2002/2004 (K.W.M. Siu, D.K. Bohme, A.C. Hopkinson)

Research Interests

Theoretical, computational, quantum chemistry, density functional theory (DFT) and wave function based quantum chemical (QM) methods. Ab initio molecular dynamics (AIMD) simulation. Applications of QM/AIMD to gas-phase ion chemistry. Fundamentals of mass spectrometry. Gas-phase catalysis.
Peptide cations (protonated and metallated) and radical cations: reaction mechanisms of formation and fragmentation. Modeling of polypeptides and active sites for proteomics. Proton and electron transfer in biosystems.

Key words: computational chemistry, ab initio, density functional theory, electron transfer proton transfer, radical cations, polypeptides, gas-phase ion chemistry

Courses Recently Taught:

Chem100, General Chemistry
Chem420, Physical Organic Chemistry and Organic Spectroscopy
Chem411, Computational Chemistry

Ph.D. 1993, Rostov University, Russia
M.Sc. 1981,  Rostov University, Russia