Article révisé par les pairs
Titre:
  • Sequence and conformation effects on ionization potential and charge distribution of homo-nucleobase stacks using M06-2X hybrid density functional theory calculations.
Auteur:Rooman, Marianne; Wintjens, René
Informations sur la publication:Journal of biomolecular structure & dynamics, 32, 4, page (532-545)
Statut de publication:Publié, 2014-04
Sujet CREF:Sciences exactes et naturelles
Mots-clés:charge distribution
charge transfer
DNA stacks
electron holes
homo-nucleobase stacks
hybrid density functional theory
oxidative damage
Quantum chemistry calculations
radical cations
spin density distribution
vertical ionization potential
Note générale:Journal Article
Research Support, Non-U.S. Gov't
SCOPUS: ar.j
Langue:Anglais
Identificateurs:urn:issn:0739-1102
info:doi/10.1080/07391102.2013.783508
info:scp/84892987184
info:pmid/23582046
PMC3919198