Charge localization in stacked radical cation DNA base pairs and the benzene dimer studied by self-interaction corrected density-functional theory

Journal of Physical Chemistry A

Volumn 111, Issue 1, 2007, Pages 105-112

  Mantz, Yves A ^a   Gervasio, Francesco Luigi ^a   Laino, Teodoro ^b,c   Parrinello, Michele ^a  

^a ETH ZURICH   (Switzerland)

^b SCUOLA NORMALE SUPERIORE   (Italy)

^c UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERS; DNA; ELECTRONIC STRUCTURE; FREE RADICALS; MOLECULAR STRUCTURE; POSITIVE IONS;

BENZENE DIMERS; CHARGE LOCALIZATION; ELECTRON SELF-INTERACTIONS; NEUTRAL MOLECULES;

BENZENE;

BENZENE; CATION; DNA; GUANINE;

ARTICLE; BASE PAIRING; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; DIMERIZATION; HYDROGEN BOND; METHODOLOGY; PHYSICAL CHEMISTRY;

BASE PAIRING; BENZENE; CATIONS; CHEMISTRY, PHYSICAL; DIMERIZATION; DNA; GUANINE; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NUCLEIC ACID CONFORMATION; SOFTWARE;

EID: 33847124521     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp063080n     Document Type: Article

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