Computational Materials Chemistry : Methods and Applications (2004. 380 p.)

311.28 SGD
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280.16
English

Product Description

Some of these problem systems can be addressed using ONIOM or other "layering" methods, treating the primary region of interest with a CASMP2 or other multireference-based method, and treating the secondary region by a lower level of electronic structure theory or by use of a molecular mechanics method.

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