PostDoc Pfizer Global Research and Development, Ann Arbor, USA, 2002-2004
Research Interests
Applications of molecular orbital theory to the study of enzyme mechanisms, QM/MM calculations, virtual screening, transition metal chemistry in biological systems.
Publications
- Cross, J. B.; Schlegel, H. B.;Molecular Orbital Studies of Titanium Nitride Chemical Vapor Deposition: Gas Phase Complex Formation, Ligand Exchange, and Elimination Reactions; Chem. Mater. 2000 12(8) 2466-2474.
- Kotra, L. P.; Cross. J. B.; Shimura, Y.; Fridman, R.; Schlegel, H. B.; Mobashery, S.; Insight into the Complex Process of Activation of Matrix Metalloproteinases J. Am. Chem. Soc. 2001 123(13) 3108-3113.
- Cross, J. B.; Smith, S. M.; Schlegel, H. B.; Molecular Orbital Studies of Titanium Nitride Chemical Vapor Deposition: Imido Dimer Formation and Elimination Reactions Chem. Mater. 2001 13(3) 1095-1100.
- Cross, J. B.; Schlegel, H. B.; Molecular Orbital Studies of Titanium Nitride Chemical Vapor Deposition: Gas Phase beta-Elimination Chem. Phys. Lett. 2001 340(3-4) 343-347.
