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Synthesis and molecular structure of a lithium complex of the phthalocyanine radical

✍ Scribed by Sugimoto, Hiroshi; Mori, Masayasu; Masuda, Hideki; Taga, Tooru


Book ID
120918561
Publisher
The Royal Society of Chemistry
Year
1986
Tongue
English
Weight
187 KB
Volume
12
Category
Article
ISSN
0022-4936

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## Abstract We report here the results from theoretical calculations of the potential energy curves, the geometry optimizations, and the electronic structures for three dimers of lithium phthalocyanine (LiPc) by using three types of functional systems: PBE1PBE, B3LYP, and M06. The results were disc