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Spectral study of mono-meso-(hydroxyphenyl)octamethylporphyrins

โœ Scribed by Li Ming; Chen Xiao-Yu; Zou Jiang-Zong; Xu Zheng; You Xiao-Zeng


Book ID
102095768
Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
248 KB
Volume
14
Category
Article
ISSN
0256-7660

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This computational organic chemistry study presents results based on density functional theory at the B3LYP/6-31G(d) and B3LYP/cc-PVTZ//B3LYP/6-31G(d) levels of theory. Other computational procedures (HF and MP2) are presented for model structures. Three main points were investigated: some of the el