Mechanism for singlet fission in pentacene and tetracene: From single exciton to two triplets

Journal of the American Chemical Society

Volumn 133, Issue 49, 2011, Pages 19944-19952

  Zimmerman, Paul M ^a   Bell, Franziska ^a,b   Casanova, David ^c   Head Gordon, Martin ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; ABSORBED PHOTONS; CROSSING RATES; INTERMOLECULAR INTERACTIONS; INTERMOLECULAR MOTION; LOCALIZED STATE; LOW-LYING EXCITED STATE; MULTIEXCITON STATE; NON-ADIABATIC COUPLING; ORGANIC SOLAR CELL; PENTACENES; QUANTUM MECHANICAL PROCESS; SINGLE EXCITONS; SINGLET EXCITED STATE; TETRACENE; TRIPLET EXCITONS; TRIPLET-TRIPLET ANNIHILATION;

CHARGE TRANSFER; EXCITONS; MOLECULAR CRYSTALS; QUANTUM THEORY;

EXCITED STATES;

MONOMER;

AB INITIO CALCULATION; ARTICLE; CHEMICAL REACTION; CROSS COUPLING REACTION; CRYSTAL STRUCTURE; DESTRUCTION; MECHANICS; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; SINGLET FISSION;

EID: 83055197022     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja208431r     Document Type: Article

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