| Literature DB >> 23485315 |
I A Fedorov1, Y N Zhuravlev, V P Berveno.
Abstract
The electronic structure of crystalline perylene has been investigated within the framework of density functional theory including van der Waals interactions. The computations of the lattice parameters and cohesive energy have good agreement with experimental values. We have also calculated the binding distance and energy of perylene dimers, using different schemes, which include van der Waals interactions.Entities:
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Year: 2013 PMID： 23485315 DOI： 10.1063/1.4794046
Source DB: PubMed Journal: J Chem Phys ISSN： 0021-9606 Impact factor: 3.488