Ultrafast Radiationless Decay in Nucleic Acids: Insights From Nonadiabatic Ab Initio Molecular Dynamics

Challenges and Advances in Computational Chemistry and Physics

Volumn 5, Issue , 2008, Pages 265-299

  Doltsinis, Nikos L ^a,b   Markwick, Phineus R L ^c   Nieber, Harald ^a,b   Langer, Holger ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b KING'S COLLEGE LONDON   (United Kingdom)

^c CNRS   (France)

Author keywords

Ab lnitio Molecular Dynamics; Base Pairs; Car Parrinello Molecular Dynamics; Conical Intersections; Density Functional Theory; Excited States; Nonadiabatic Effects; Nucleobases; Photostability; Surface Hopping; Ultrafast Internal Conversion; UV Genetic Damage

Indexed keywords

EID: 84871188109     PISSN: 25424491     EISSN: 25424483     Source Type: Book Series    
DOI: 10.1007/978-1-4020-8184-2_10     Document Type: Chapter

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