Elucidation of electron ionization induced fragmentations of adenine by semiempirical and density functional molecular dynamics

Journal of Physical Chemistry A

Volumn 118, Issue 49, 2014, Pages 11479-11484

  Bauer, Christoph Alexander ^a   Grimme, Stefan ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; IONIZATION OF GASES; ISOTOPES; MASS SPECTROMETRY; NUCLEIC ACIDS; QUANTUM CHEMISTRY; REACTION KINETICS; STOCHASTIC SYSTEMS;

DECOMPOSITION PRODUCTS; DENSITY FUNCTIONALS; ELECTRON IONIZATION; ELECTRON IONIZATION MASS SPECTROMETRY; FRAGMENTATION CHANNELS; FRAGMENTATION REACTIONS; GAS-PHASE FRAGMENTATION; QUANTUM CHEMICAL STUDIES;

MOLECULAR DYNAMICS;

ADENINE;

CHEMISTRY; ELECTRON; ELECTROSPRAY MASS SPECTROMETRY; MOLECULAR DYNAMICS; PRINCIPAL COMPONENT ANALYSIS; QUANTUM THEORY; STATISTICS;

ADENINE; ELECTRONS; MOLECULAR DYNAMICS SIMULATION; PRINCIPAL COMPONENT ANALYSIS; QUANTUM THEORY; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; STOCHASTIC PROCESSES;

EID: 84916623785     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp5096618     Document Type: Article

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