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People Home : Chemistry : Computational Chemistry : People Directory Listing(s) • Agrafiotis, Dimitris K. Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design. • Aspuru-Guzik, Alan Theoretical physical chemistry. In particular, interested in the electronic structure of atoms and molecules and in statistical mechanics. • Sherrill, C. David Ab initio and density functional quantum chemistry.

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