The decay from the dark nπ* excited state in uracil: An integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water

Journal of Physical Chemistry B

Volumn 112, Issue 35, 2008, Pages 10769-10772

  Mercier, Yannick ^a   Santoro, Fabrizio ^b   Reguero, Mar ^a   Improta, Roberto ^c  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^b AREA DELLA RICERCA   (Italy)

^c UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; DIAMOND FILMS; ENERGY GAP; EXCITED STATES; GALLIUM ALLOYS; GROUND STATE; HYDROGEN; HYDROGEN BONDS; INTERSECTIONS; MECHANISMS; NONMETALS; SOLIDS; TIN;

CONICAL INTERSECTIONS; DARK STATES; DECAY MECHANISMS; DFT STUDY; ENERGY GAPS; GAS-PHASE; HIGH ENERGIES; HYDROGEN BONDINGS; THERMALIZATION;

TIN ALLOYS;

URACIL; WATER;

ARTICLE; CHEMISTRY; ELECTRON; GAS; QUANTUM THEORY; SURFACE PROPERTY;

ELECTRONS; GASES; QUANTUM THEORY; SURFACE PROPERTIES; URACIL; WATER;

EID: 52349098054     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804785p     Document Type: Article

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