Computational Chemistry Column: Combined Quantum Mechanical and Molecular Mechanical Approaches

Columns

Authors

  • Tiziana Z. Mordasini
  • Walter Thiel

DOI:

https://doi.org/10.2533/chimia.1998.288

Abstract

The 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.

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Published

1998-06-24

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Section

Columns, Conference Reports