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An ab initio quadratic force field for methyldiborane

โœ Scribed by Keeports, David D.; Eggers, David F.


Book ID
126294978
Publisher
American Chemical Society
Year
1984
Tongue
English
Weight
649 KB
Volume
23
Category
Article
ISSN
0020-1669

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This article presents a new ab initio force field for the cofactors of bacterial photosynthesis, namely quinones and bacteriochlorophylls. The parameters has been designed to be suitable for molecular dynamics simulations of photosynthetic proteins by being compatible with the AMBER force field. To