๐”– Bobbio Scriptorium
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Comparative review of molecular modelling software for personal computers

โœ Scribed by Maruse Sadek; Sharon Munro


Publisher
Springer Netherlands
Year
1988
Tongue
English
Weight
605 KB
Volume
2
Category
Article
ISSN
0920-654X

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The application of ab initio, density functional theory and molecular mechanical methods to the modelling of metallocenes, particularly ferrocene, is reviewed. Approaches to the representation of the metal-ring p-bonding in molecular mechanics and the quality of computed results from ab initio and d