Intersystem crossing and characterization of dark states in the pyrimidine nucleobases uracil, thymine, and 1-methylthymine

Journal of Physical Chemistry A

Volumn 113, Issue 43, 2009, Pages 11809-11816

  Etinski, Mihajlo ^b   Fleig, Timo ^b,c   Marian, Christel M ^a,b  

^a Institute of Theoretical and Computational Chemistry   (Germany)

^b HEINRICH HEINE UNIVERSITY   (Germany)

^c Université Paul Sabatier   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; COUPLED CLUSTERS; DARK STATE; ELECTRONIC COUPLING MATRIX ELEMENTS; GASPHASE; INTERSYSTEM CROSSING; INTERSYSTEM CROSSING RATES; LOW-LYING EXCITED STATE; MEAN FIELD APPROXIMATION; MULTI REFERENCE CONFIGURATION INTERACTIONS; NON-RADIATIVE TRANSITIONS; NUCLEOBASES; SEMI-EMPIRICAL; SPIN ORBITS; SUBNANOSECOND TIME SCALE; SUBPICOSECOND;

DENSITY FUNCTIONAL THEORY; SPIN DYNAMICS; SULFUR COMPOUNDS;

RATE CONSTANTS;

1 METHYLTHYMINE; 1-METHYLTHYMINE; DRUG DERIVATIVE; PYRIMIDINE DERIVATIVE; THYMINE; URACIL;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELECTRON; KINETICS; QUANTUM THEORY; THERMODYNAMICS;

ELECTRONS; KINETICS; MODELS, CHEMICAL; PYRIMIDINES; QUANTUM THEORY; THERMODYNAMICS; THYMINE; URACIL;

EID: 70350749753     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp902944a     Document Type: Article

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