## Ž . Density functional DF theory using both local and gradient-corrected functionals is Ž . used to optimize the ground-state geometry of CoAl Cl g . The method to obtain the 2 8 multiplet structure includes first-and second-order electrostatic interactions. From these results and the calculati
✦ LIBER ✦
A density functional study of the ground state electronic structure of phosphorus–porphyrins
✍ Scribed by David Delaere; Minh Tho Nguyen
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- English
- Weight
- 253 KB
- Volume
- 376
- Category
- Article
- ISSN
- 0009-2614
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