π-π stacking tackled with density functional theory

Journal of Molecular Modeling

Volumn 13, Issue 12, 2007, Pages 1245-1257

  Swart, Marcel ^a,b,c   van der Wijst, Tushar ^a,d   Fonseca Guerra, Célia ^a   Bickelhaupt, F Matthias ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

^c UNIVERSITY OF GIRONA   (Spain)

^d TU DORTMUND UNIVERSITY   (Germany)

Author keywords

stacking interactions; Density functional theory; DNA stability; DNA structure; Hydrogen bonding

Indexed keywords

BENZENE DERIVATIVE; DNA BASE;

AB INITIO CALCULATION; ARTICLE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DNA STRUCTURE; ELECTRIC POTENTIAL; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR STABILITY; PRIORITY JOURNAL;

BASE PAIRING; BENZENE; DIMERIZATION; DNA; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PYRIDINES;

EID: 35448981439     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0239-y     Document Type: Article

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