Computational Chemistry Column: Combined Quantum Mechanical and Molecular Mechanical Approaches
AbstractThe embedding of a quantum mechanical region in a molecular mechanical environment allows a theoretical treatment of very large systems. This article reviews recent methodological developments for such hybrid methods and surveys selected applications including solvation effects, enzymatic reactions, and electronic excitations in condensed phase.
How to Cite
T. Z. Mordasini, W. Thiel, Chimia 1998, 52, 288, DOI: 10.2533/chimia.1998.288.
Columns, Conference Reports
Copyright (c) 1998 Swiss Chemical Society
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