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David Sherrill. Regents' Professor, Chemistry and Computational Science, Georgia Tech. Verified email at gatech.edu - Homepage. physical chemistry theoretical chemistry computational chemistry...
CD Sherrill Georgia Institute of Technology: Atlanta, GA, US 2005-07-01 to 2008-06-30 | Associate Professor (School of Chemistry and Biochemistry)
C. David Sherrill Regents’ Professor School of Chemistry and Biochemistry School of Computational Science and Engineering Georgia Institute of Technology . I. Earned Degrees . Ph.D. Chemistry, University of Georgia, 1996 B.S. Chemistry, Massachusetts Institute of Technology, 1992. II. Employment History . titu. e of Technology, .
28 de jun. de 2024 · The Sherrill Group: Publications. Search the Sherrill Group. Perspectives, Review Articles, and Book Chapters. `` Chemical Physics Software ,'' C. D. Sherrill, D. E. Manolopoulos, T. J. Martinez, M. Ceriotti, and A. Michaelides, J. Chem. Phys.155, 010401 (2021). (doi: 10.1063/5.0059886 )
15 de jul. de 2011 · Noncovalent interactions remain poorly understood despite their importance to supramolecular chemistry, biochemistry, and materials science. They are an ideal target for theoretical study, where interactions of interest can be probed directly, free from competing secondary interactions.
1 de ene. de 1999 · Highly correlated configuration interaction (CI) wavefunctions going beyond the simple singles and doubles (CISD) model space can provide very reliable potential energy surfaces, describe electronic excited states, and yield benchmark energies and molecular properties for use in calibrating more approximate methods.
C. Sherrill. Published 2009. Chemistry. Hartree-Fock theory is fundamental to much of electronic structure theory. It is the basis of molecular orbital (MO) theory, which posits that each electron’s motion can be described by a single-particle function (orbital) which does not depend explicitly on the instantaneous motions of the other electrons.
