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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)
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.
Improving on the resolution of the identity in linear R12 ab initio theories. EF Valeev. Chemical physics letters 395 (4-6), 190-195. , 2004. 429. 2004. A new near-linear scaling, efficient and...
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.
24 de sept. de 2009 · C David Sherrill 1 , Tait Takatani , Edward G Hohenstein. Affiliation. 1 Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia, 30332-0400, USA. sherrill@gatech.edu. PMID: 19689152. DOI: 10.1021/jp9034375. Abstract.
