Intermolecular electronic excitation transfer in a confined space: A first-principles study

ChemPhysChem

Volumn 6, Issue 9, 2005, Pages 1917-1922

  Fois, Ettore ^a   Gamba, Aldo ^a   Medici, Cinzia ^a   Tabacchi, Gloria ^a  

^a UNIVERSITY OF INSUBRIA   (Italy)

Author keywords

Confined molecular wires; Density functional calculations; Electronic excitation transfer; Molecular dynamics; Zeolites

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; MOLECULES; NANOWIRES; WIRE; ZEOLITES;

ELECTRONIC EXCITATION; EXCITED SINGLET STATE; FIRST PRINCIPLES MOLECULAR DYNAMICS; FIRST-PRINCIPLES STUDY; MOLECULAR WIRES; RESTRICTED OPEN SHELL KOHN SHAMS; SUPRAMOLECULAR ARRANGEMENT; TIME EVOLUTIONS;

EXCITED STATES;

EID: 24944486695     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400561     Document Type: Article

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