Experimental, semi-experimental andab initioequilibrium structures
Author:
- 2 December 2007
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 105 (23-24) , 3109-3138
Abstract
The determination of equilibrium structures of molecules by spectroscopic methods or by quantum mechanical calculations is reviewed. The following structures are described in detail: experimental equilibrium structures, empirical structures, semi-experimental structures and ab initio structures. The approximations made by the different methods are discussed and their accuracies are compared.Keywords
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