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Electron density studies of porphyrins and phthalocyanines. 7. Electronic ground state of bis(pyridine)(meso-tetraphenylporphinato)iron(II)

โœ Scribed by Li, Naiyin; Coppens, Philip; Landrum, John


Book ID
127133721
Publisher
American Chemical Society
Year
1988
Tongue
English
Weight
829 KB
Volume
27
Category
Article
ISSN
0020-1669

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Electronic ground state of iron(II)porph
โœ Marie-Madeleine Rohmer ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 516 KB

Ab I~ILIO SCF and CI calculallons for tie 'A zg and 3EB states of the rron(Il)porphyrm both predw a 3Azs ground state The calculated electron denaty lsmbuuon around Lhe Iron atom and tie deformation densrty maps are reported smce they represent an rmportant reference wlh regard 10 Ihe decernunauon o