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Open Physics
(Feb 2014)
Time-dependent density functional theory molecular dynamics simulation of doubly charged uracil in gas phase
López-Tarifa Pablo,
Hervé du Penhoat Marie-Anne,
Vuilleumier Rodophe,
Gaigeot Marie-Pierre,
Rothlisberger Ursula,
Tavernelli Ivano,
Le Padellec Arnaud,
Champeaux Jean-Philippe,
Alcamí Manuel,
Moretto-Capelle Patrick,
Martín Fernando,
Politis Marie-Françoise
Affiliations
López-Tarifa Pablo
École Polytechnique Fédérale de Lausanne, EPFL SB-ISIC-LCBC-BCH, 1015, Lausanne, Switzerland
Hervé du Penhoat Marie-Anne
IMPMC UMR-CNRS 7590, Université Pierre et Marie Curie, 4 place Jussieu, 75005, Paris, France
Vuilleumier Rodophe
École Normale Supérieure, Département de Chimie, UMR 8640 CNRS-ENS-UPMC, 75005, Paris, France
Gaigeot Marie-Pierre
Rothlisberger Ursula
École Polytechnique Fédérale de Lausanne, EPFL SB-ISIC-LCBC-BCH, 1015, Lausanne, Switzerland
Tavernelli Ivano
École Polytechnique Fédérale de Lausanne, EPFL SB-ISIC-LCBC-BCH, 1015, Lausanne, Switzerland
Le Padellec Arnaud
Champeaux Jean-Philippe
Alcamí Manuel
Departamento de Qí’mica, Módulo 13, Universidad Autónoma de Madrid, 28049, Madrid, Spain
Moretto-Capelle Patrick
Martín Fernando
Politis Marie-Françoise
LAMBE, UMR-CNRS 8587, Université d’Evry val d’Essonne, Blvd F. Mitterrand, 91025, Evry, France
DOI
https://doi.org/10.2478/s11534-014-0428-0
Journal volume & issue
Vol. 12, no. 2
pp. 97 – 102
Abstract
Read online
No abstracts available.
Keywords
uracil
proton collision
nonadiabatic dynamics
biological damage
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