Computational Chemistry Column: Combined Quantum Mechanical and Molecular Mechanical Approaches
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...
| Main Authors: | , |
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| Format: | Article |
| Language: | deu |
| Published: |
Swiss Chemical Society
1998-06-01
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| Series: | CHIMIA |
| Online Access: | https://www.chimia.ch/chimia/article/view/3011 |