Density functional theory/Hartree-Fock hybrid methods have been applied to the cationic methylene complexes MCH~of the first-row transition metals (M = Sc-Cu). A comparison of the computed results with earlier high-level ab initio MO calculations and experimental data is presented in order to assess
✦ LIBER ✦
Homoleptic Carbonyls of the Second-Row Transition Metals: Evaluation of Hartree−Fock and Density Functional Theory Methods †
✍ Scribed by Feng, Xuejun; Gu, Jiande; Xie, Yaoming; King, R. Bruce; Schaefer, Henry F.
- Book ID
- 120395076
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 369 KB
- Volume
- 3
- Category
- Article
- ISSN
- 1549-9618
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