Unrestricted CNDO-MO calculations. II. MnO42−and CrO43−
✍ Scribed by David A. Copeland
- Publisher
- Springer
- Year
- 1973
- Tongue
- English
- Weight
- 348 KB
- Volume
- 32
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Acceleration of a homolytic O-O bond cleavage by participation of a neighboring sulfur atom has been very clearly established in m-butyl o-methylthioperoxybenzoate (2) which decomposes ~a. lo4 times as fast as the parent peroxybensoate at 600~ in chlorobensene. The rate-determining step for the clea
CNDO/2 calculations are reported for dilithium and disodium porphyrin. The total energy is calculated as a function of the metal-ring distance for symmetrical (D4h) structures. For dilithium porphyrin, the equilibrium metal-ring distance is 0.87 A and the metal-metal vibrational frequency is 123 cm-