B.S., Chemistry, May 2003
Iowa State University

		Ryan Steele Graduate Student
		New contact info: 225 Prospect St. Yale University New Haven, CT 06520 (203) 432-6068 ryan.steele (AT) yale.edu Ph.D., Chemistry, May 2003 University of CA - Berkeley
	Research Interests: SCF Theory Low-cost methods for obtaining large basis set effects Analytic derivative methods Non-covalent interactions in fullerene systems Enzymology Dynamics of metal complexes Nonadiabaticity and photochemical processes
	Publications: Dual-Basis SCF Methods: 6-31G* calculations with a minimal 6-4G basis Mol Phys (Peter Pulay special issue) in press   Dual-Basis Analytic Gradients: II. Second-Order Moller-Plesset Perturbation Theory (Rob DiStasio) Mol Phys (Peter Pulay special issue) in press   Ultrafast IR and DFT Studies of Co(CO)3NO: Direct observation of photoinduced bent nitrosyl complexes  (In preparation w/Karma Sawyer and Charles Harris)   (In preparation)   Dual-Basis Analytic Gradients: 1. Self-Consistent Field Theory J. Phys. Chem. A 110 13915-13922 (2006)   Dual-Basis Second-Order Moller-Plesset Perturbation Theory: A Reduced Cost Reference for Correlation Calculations  J. Chem. Phys. 125 074108 (2006)   On the T-Shaped Structures of the Benzene Dimer (Rob Distasio)  Chem. Phys. Lett. 437 277-283 (2006)   An Improved Algorithm for Analytical Gradient Evaluation in Resolution-of-the-Identity Second-Order Moller-Plesset Perturbation Theory:  Application to alanine tetrapeptide conformational energy analysis (Rob Distasio) J. Comp. Chem. 28 839-856 (2007)   Advances in methods and algorithms in a modern quantum chemistry program package Phys. Chem. Chem. Phys. 8 3172-3191 (2006)
	Links: Chem 221B (Graduate Quantum Mechanics II) Homepage (Spring 2006 but still active...)

Questions?  Errors?  Suggestions?  Contact the webmaster.

©2006 The Head-Gordon Group
University of CA - Berkeley