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Mapping the Stereochemistry and Symmetry of Tetracoordinate Transition-Metal Complexes

✍ Scribed by Jordi Cirera; Pere Alemany; Santiago Alvarez

Publisher
John Wiley and Sons
Year
2004
Tongue
English
Weight
392 KB
Volume
10
Category
Article
ISSN
0947-6539

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πŸ“œ SIMILAR VOLUMES

Broken symmetry approach to calculation
Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes
✍ Ruiz, Eliseo; Cano, Joan; Alvarez, Santiago; Alemany, Pere πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 200 KB πŸ‘ 2 views

The application of broken symmetry density functional calculations to homobinuclear and heterobinuclear transition metal complexes produces good estimates of the exchange coupling constants as compared to experimental data. The accuracy of different hybrid density functional theory methods was teste