期刊论文详细信息
Croatica Chemica Acta | |
Semiempirical Study of Geometries and Valence Isomerization of Pyrene-4,5-oxide and Pyrene-2,3-oxide, Their Oxepines and Related Compounds | |
Rioseras-Garcia, Maria J.1  Hernando-Huelmo, Jose M.1  | |
[1] Departamento de Química Física, Universidad de Valladolid, 47005-Valladolid, Spain | |
关键词: annulenes; pyrene; oxepines; valence isomerization; AM1 and MNDO methods; | |
DOI : | |
学科分类:化学(综合) | |
来源: Croatica Chemica Acta | |
【 摘 要 】
A conformational Study of the energies and geometries of the stable compounds obtained from pyrene via enzymatic treatment with oxygen has been carried out using two semiempirical quantum mechanical methods: AM1 and MNDO. The energies of...
【 授权许可】
Unknown
【 预 览 】
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