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Molecular orbital ab initio and density functional theoretical study on reaction between PH2 and NO

✍ Scribed by Zhengfa Hu; Zhenya Wang; Haiyang Li; Shikang Zhou


Book ID
111783855
Publisher
SP Science China Press
Year
2002
Tongue
English
Weight
225 KB
Volume
45
Category
Article
ISSN
1674-7283

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Semiempirical PM5 molecular orbital stud
✍ Juha Linnanto; Jouko Korppi-Tommola πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 152 KB πŸ‘ 1 views

The semiempirical PM5 method has been used to calculate fully optimized structures of magnesium-bacteriochlorin, magnesium-chlorin, magnesium-porphin, mesochlorophyll a, chlorophylls a, b, c(1), c(2), c(3), and d, and bacteriochlorophylls a, b, c, d, e, f, g, and h with all homologous structures. Ha