Molecular-Orbital Calculation of 10Dq in Some Transition-Metal Fluorides
β Scribed by Offenhartz, Peter O'Donnell
- Book ID
- 121872160
- Publisher
- American Institute of Physics
- Year
- 1967
- Tongue
- English
- Weight
- 878 KB
- Volume
- 47
- Category
- Article
- ISSN
- 0021-9606
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π SIMILAR VOLUMES
A msterdarn, The ~et~~er~l~~s (213rir prrb!icution of ihe Vtru der Wads Fund) Received 8 May19i3 A semi-empirical unrestricted Hytree-Fock MO method has been developed for the purpose of calculating the Fermi contact term Ln trsnsition metal complexes. An application tu the systems CuCIiand hinCl:-,
Application of the semiempirical quantum-chemical INDO/ZMO method in computing the slopes of the energy surface of various ions participating in electron-transfer reactions in solution is presented in this paper. The values of slopes obtained from INDO/Z-MO agree with those obtained from the classic