Functional assembled structures of anthracene derivatives
نویسندگان
چکیده
منابع مشابه
Electronic structures and spectra of conducting anthracene derivatives
Theoretical studies on anthracene and a series of its derivatives were performed using the AM1 method and DFT. Based on B3LYP/6-31G(d) optimized geometries, the electronic, IR and NMR spectra of anthracene oligomers were calculated using the Indo/Cis, AM1 and B3LYP/6-31G(d) methods, respectively. The energy gaps of the oligomers decreased and the main absorptions in the electronic spectra of th...
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ژورنال
عنوان ژورنال: SCIENTIA SINICA Chimica
سال: 2016
ISSN: 1674-7224
DOI: 10.1360/n032016-00039