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Sherrill, C. David	Popularity:    Hit: 767

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Ab initio and density functional quantum chemistry (Georgia Institute of Technology). URL: http://vergil.chemistry.gatech.edu/ Title: Sherrill Group Image: 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 Specialized in: Quantum - Mechanics - Theory - Scf - Ci - Dft - Computers - Chemistry - Computational - Programming - Acetylene - Georgia Tech - Atlanta - Molecular Modeling - Psi - Electronic Structure

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Jorgensen, William L. (Popularity: ): Studies of organic reactions in solution and in enzymes using Monte Carlo and semiempirical QM/MM simulations. (Yale University) Sherrill, C. David (Popularity: ): Ab initio and density functional quantum chemistry (Georgia Institute of Technology). McCammon, J. Andrew (Popularity: ): Simulations of biochemical reactions in solution, in proteins, and at membrane interfaces through statistical and quantum mechanics (University of California ... Cambridge Centre for Computational Chemistry (Popularity: ): Condensed matter science, surface science and statistical mechanics of complex and disordered systems. van Gunsteren, Wilfred F. (Popularity: ): Molecular dynamics simulations of biomolecular systems. (ETH Hönggerberg)

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