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Electron density studies of porphyrins and phthalocyanines. III. The electronic ground state of iron(II) phthalocyanine

โœ Scribed by Coppens, Philip; Li, Liang


Book ID
121508490
Publisher
American Institute of Physics
Year
1984
Tongue
English
Weight
885 KB
Volume
81
Category
Article
ISSN
0021-9606

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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