Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water

Journal of the American Chemical Society

Volumn 128, Issue 50, 2006, Pages 16312-16322

  Santoro, Fabrizio ^a   Barone, Vincenzo ^b   Gustavsson, Thomas ^c   Improta, Roberto ^b,d  

^a AREA DELLA RICERCA   (Italy)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^c CEA SACLAY   (France)

^d CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ACETONITRILE; EMISSION SPECTROSCOPY; MATHEMATICAL MODELS; MICROSCOPIC EXAMINATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SOLVENTS; WATER;

EXCITED STATES; LOWEST ENERGY EXCITED STATES; POLARIZABLE CONTINUUM MODEL (PCM); URACIL;

NUCLEIC ACIDS;

ACETONITRILE; FLUOROURACIL; NUCLEIC ACID BASE; SOLVENT; URACIL; WATER;

ABSORPTION; AQUEOUS SOLUTION; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ENERGY; FLAME PHOTOMETRY; HYDROGEN BOND; MODEL; MOLECULAR DYNAMICS; POLARIZABLE CONTINUUM MODEL; QUANTUM MECHANICS;

ABSORPTION; ACETONITRILES; COMPUTER SIMULATION; FLUORINE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NUCLEIC ACIDS; SOLVENTS; TIME FACTORS; URACIL; WATER;

EID: 33845573545     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0657861     Document Type: Article

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