Article (Scientific journals)
Determining the cohesive energy of coronene by dispersion-corrected DFT methods: Periodic boundary conditions vs. molecular pairs
Sancho-Garcia, Juan Carlos; Pérez-Jiménez, Ángel José; Olivier, Yoann
2015In Journal of Chemical Physics, 142, p. 054702
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Research center :
CIRMAP - Centre d'Innovation et de Recherche en Matériaux Polymères
Disciplines :
Chemistry
Author, co-author :
Sancho-Garcia, Juan Carlos
Pérez-Jiménez, Ángel José
Olivier, Yoann ;  Université de Mons > Faculté des Sciences > Chimie des matériaux nouveaux
Language :
English
Title :
Determining the cohesive energy of coronene by dispersion-corrected DFT methods: Periodic boundary conditions vs. molecular pairs
Publication date :
03 February 2015
Journal title :
Journal of Chemical Physics
ISSN :
0021-9606
Publisher :
American Institute of Physics, United States - New York
Volume :
142
Pages :
054702
Peer reviewed :
Peer Reviewed verified by ORBi
Research unit :
S817 - Chimie des matériaux nouveaux
Research institute :
R400 - Institut de Recherche en Science et Ingénierie des Matériaux
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