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Molecular mechanics calculations of transition metal complexes

✍ Scribed by Bernhardt, Paul V.; Comba, Peter


Book ID
120659068
Publisher
American Chemical Society
Year
1992
Tongue
English
Weight
899 KB
Volume
31
Category
Article
ISSN
0020-1669

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Transition metal complexes have been treated by a molecular mechanics approach using an MM2-like valence force field for the ligands and a Urey᎐Bradley force field about the metal. Metal᎐ligand atom bonds are parameterized with dependence on the metal covalent radius. The current metal᎐ligand distan