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Theoretical design study on photophysical property of the organoboron quinolate derivatives

โœ Scribed by Lu-Yi Zou; Ai-Min Ren; Xue-Qin Ran; Xue-Feng Ren; Ji-Kang Feng

Book ID
105886632
Publisher
Springer
Year
2011
Tongue
English
Weight
401 KB
Volume
129
Category
Article
ISSN
1432-2234

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The ground state properties of Cr 7 C 3 cell are studied in this paper by using first-principles calculations; the covalent bond in this compound is a kind of p and d hybridization between carbon (C) and chromium (Cr). The Fermi surface of projected density of states (PDOS) is dominated by d bands o