JOURNAL 805


Organic Communications
VOLUME & ISSUE
Year: 2017 Issue: 2 April-June
PAGES
p.56 - 71
STATISTICS
Viewed 1971 times.
AUTHORS
    Fatma Dikcal, Turan Ozturk and M. Emin Cinar
PDF OF ARTICLE

GRAPHICAL ABSTRACT


ABSTRACT


Computational investigations of fused thiophenes including not only thienothiophene, ditihieno­thiophene and thienoacene but also other thiophene-fused (hetero)-aromatic rings have been surveyed. The effect of the methods and basis sets applied on promising optoelectronic materials were elaborated. This brief review suggests the best method for the fused thiophenes to be B3LYP functional. ©2016 ACG Publications. All rights reserved.

KEYWORDS
  • Computation
  • DFT
  • fused thiophenes
  • optoelectronic