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)
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