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
โฆ LIBER โฆ
Density functional theory and ab initio study of bond dissociation energy for peroxonitrous acid and peroxyacetyl nitrate
โ Scribed by Branko S. Jursic
- Book ID
- 114142846
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 435 KB
- Volume
- 370
- Category
- Article
- ISSN
- 0166-1280
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