Sherrill, C. David - Ab initio and density functional quantum chemistry (Georgia Institute of Technology).

		Sunday, 12 October, 2008
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Sherrill, C. David

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	Ab initio and density functional quantum chemistry (Georgia Institute of Technology). Sponsored Links:
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Title:	Welcome to the Sherrill Group
Description:	Our goal is to apply the principles of quantum mechanics and electronic structure theory to address problems in physical, organic, inorganic, and biological chemistry. High performance computers are used to solve the complex equations describing the system of interest, yielding predictions of structures, bonding, energetics, reactivity, and other physical properties
Category:	Computational - Institute - Electronic - Structure - Mechanics - David - Technology - Computers - Chemistry - Modeling - Field - Sets - Programming - Tech - Quantum - Interaction - Density - Theory - Molecular - Georgia - Acetylene - Self - Functional - Coupled - Consistent - Basis - Configuration - Aces - Atlanta - Cluster - Gaussian - Cisd - Ccsd - Sherrill - Q-chem - Gaussian94 - Gaussian98 - Hartree-fock

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