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Shape and Symmetry of Heptacoordinate Transition-Metal Complexes: Structural Trends

โœ Scribed by David Casanova; Pere Alemany; Josep M. Bofill; Santiago Alvarez


Publisher
John Wiley and Sons
Year
2003
Tongue
English
Weight
280 KB
Volume
9
Category
Article
ISSN
0947-6539

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Broken symmetry approach to calculation
โœ Ruiz, Eliseo; Cano, Joan; Alvarez, Santiago; Alemany, Pere ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 200 KB ๐Ÿ‘ 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