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Inside Cover: Influence of Intermolecular Vibrations on the Electronic Coupling in Organic Semiconductors: The Case of Anthracene and Perfluoropentacene (ChemPhysChem 13/2009)
Author(s) -
Martinelli Nicolas G.,
Olivier Yoann,
Athanasopoulos Stavros,
Ruiz Delgado MariCarmen,
Pigg Kathryn R.,
da Silva Filho Demétrio A.,
SánchezCarrera Roel S.,
Venuti Elisabetta,
Della Valle Raffaele G.,
Brédas JeanLuc,
Beljonne David,
Cornil Jérôme
Publication year - 2009
Publication title -
chemphyschem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200990051
Subject(s) - anthracene , organic semiconductor , intermolecular force , chemical physics , coupling (piping) , charge (physics) , cover (algebra) , monte carlo method , molecular physics , semiconductor , chemistry , thermal , computational chemistry , materials science , condensed matter physics , physics , photochemistry , thermodynamics , molecule , quantum mechanics , optoelectronics , organic chemistry , mechanical engineering , engineering , metallurgy , statistics , mathematics
On p. 2265, J. Cornil et al. couple classical MD and quantum‐chemical approaches to evaluate the modulation of the electronic coupling for charge transport induced by thermal fluctuations in the crystals of anthracene and perfluoropentacene. The distributions are subjected to Monte‐Carlo simulations to assess the impact on charge mobility values.