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Steric Crowding in Coordination Compounds: Electron-transfer kinetics of the [Co(tmen)3]3+/2+ couple (tmen = 2,3-dimethylbutane-2,3-diamine)

✍ Scribed by Philip Hendry; Andreas Ludi


Publisher
John Wiley and Sons
Year
1988
Tongue
German
Weight
339 KB
Volume
71
Category
Article
ISSN
0018-019X

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Ab initio study of electronic energy tra
✍ Robert F. Sperlein; Michael F. Golde; Kenneth D. Jordan πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 637 KB

Potential energy calculations for the interaction of CO( a 'IT) with Hr( X 'C: ) are presented, both at the MC SCF level and with the inclusion of extensive configuration interaction. In C1, geometry, the lowest two 3BI surfaces exhibit a strongly avoided crossing. At the highest level of theory use