The geometries and SแH, SแS, and SแC bond dissociation energies for hydrogen sulfide, hydrogen disulfide, methanethiol, dimethyl disulfide, and dimethyl disulfide were ลฝ . ลฝ calculated with both ab initio ROHF and MP2 , hybrid BHandH, BHandHLYP, . ลฝ . Becke3LYP and Becke3P86 , and nonlocal BLYP and
Validation of Density Functional Methods for Computing Structures and Energies of Mercury(IV) Complexes
โ Scribed by Sebastian Riedel; Michal Straka; Martin Kaupp
- Publisher
- John Wiley and Sons
- Year
- 2004
- Weight
- 54 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0931-7597
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