Automated quantum chemistry based molecular dynamics simulations of electron ionization induced fragmentations of the nucleobases uracil, thymine, cytosine, and guanine

European Journal of Mass Spectrometry

Volumn 21, Issue 3, 2015, Pages 125-140

  Bauer, Christoph Alexander ^a   Grimme, Stefan ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Electron ionization; Fragmentation; Molecular dynamics; Nucleobases; Quantum chemistry

Indexed keywords

AROMATIC COMPOUNDS; DECOMPOSITION; ELECTRONS; IONIZATION OF GASES; MASS SPECTROMETERS; MASS SPECTROMETRY; POSITIVE IONS; QUANTUM CHEMISTRY; STOCHASTIC SYSTEMS;

DECOMPOSITION MECHANISM; ELECTRON IONIZATION; ELECTRON IONIZATION MASS SPECTRA; FRAGMENTATION; GAS-PHASE DECOMPOSITION; MOLECULAR DYNAMICS SIMULATIONS; NUCLEOBASES; UNIMOLECULAR DECOMPOSITIONS;

MOLECULAR DYNAMICS;

CYTOSINE; GUANINE; NUCLEOTIDE; THYMINE; URACIL;

ALGORITHM; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DNA FRAGMENTATION; ELECTROSPRAY MASS SPECTROMETRY; MOLECULAR DYNAMICS; PROCEDURES; QUANTUM THEORY;

ALGORITHMS; COMPUTER SIMULATION; CYTOSINE; DNA FRAGMENTATION; GUANINE; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; NUCLEOTIDES; QUANTUM THEORY; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; THYMINE; URACIL;

EID: 84952719039     PISSN: 14690667     EISSN: 17516838     Source Type: Journal    
DOI: 10.1255/ejms.1313     Document Type: Article

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