Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case

Journal of Computational Chemistry

Volumn 29, Issue 6, 2008, Pages 957-964

  Santoro, Fabrizio ^a   Barone, Vincenzo ^b   Improta, Roberto ^b,c  

^a AREA DELLA RICERCA   (Italy)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^c CNR   (Italy)

Author keywords

Cytosine; Excited states; Nucleic acids; Stacking; Time dependent density functional theory

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; EXCITED STATES; NUCLEIC ACIDS;

CYTOSINE DIMERS; STACKED NUCLEOBASES;

DIMERS;

CYTOSINE; POLYMER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; DIMERIZATION; QUANTUM THEORY;

CYTOSINE; DIMERIZATION; MODELS, CHEMICAL; MODELS, MOLECULAR; POLYMERS; QUANTUM THEORY;

EID: 41549147727     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20853     Document Type: Article

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