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Theoretical rationalization of the singlet-triplet gap in OLEDs materials: impact of charge-transfer character.
Moral, M; Muccioli, L; Son, W-J; Olivier, Y; Sancho-García, J C.
Affiliation
  • Moral M; Departamento de Química Fsica, Universidad de Alicante , 03080 Alicante, Alicante, Spain.
  • Muccioli L; Department of Industrial Chemistry "Toso Montanari", University of Bologna , 40136 Bologna, Bologna, Italy.
  • Son WJ; Laboratoire de Chimie des Polymères Organiques, UMR 5629, University of Bordeaux , 33607 Pessac, France.
  • Olivier Y; Samsung Advanced Institute of Technology, Yongin, Gyeonggi-do 443-803, South Korea.
  • Sancho-García JC; Laboratory for Chemistry of Novel Materials, University of Mons , 7000 Mons, Belgium.
J Chem Theory Comput ; 11(1): 168-77, 2015 Jan 13.
Article in En | MEDLINE | ID: mdl-26574215
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2015 Document type: Article Affiliation country: España Country of publication: Estados Unidos
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2015 Document type: Article Affiliation country: España Country of publication: Estados Unidos