Influence of hydrogen bonding on hydrogen-atom abstraction reactions of dehydropyridinium cations in the gas phase

Journal of Physical Chemistry A

Volumn 114, Issue 49, 2010, Pages 12851-12857

  Adeuya, Anthony ^a,b   Nash, John J ^a   Kenttämaa, Hilkka I ^a  

^a PURDUE UNIVERSITY   (United States)

^b CENTER FOR DRUG EVALUATION AND RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENTHALPIES; ATOM ABSTRACTION; DENSITY FUNCTIONAL THEORY CALCULATIONS; FOURIER-TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETERS; GASPHASE; GOOD CORRELATIONS; HYDROGEN ATOM ABSTRACTION; HYDROGEN BONDING INTERACTIONS; HYDROGEN BONDINGS; MONORADICALS; NEUTRAL REAGENTS; POSITIVELY CHARGED; RADICAL SITES; REACTION EFFICIENCY; TETRA-HYDROFURAN; TRANSITION STATE;

ABSTRACTING; ATOMS; CYCLOHEXANE; DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; HYDROGEN; MASS SPECTROMETRY; METHANOL; POSITIVE IONS;

HYDROGEN BONDS;

CATION; HYDROGEN; PYRIDINIUM DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; GAS; HYDROGEN BOND; QUANTUM THEORY; VIBRATION;

CATIONS; GASES; HYDROGEN; HYDROGEN BONDING; MOLECULAR STRUCTURE; PYRIDINIUM COMPOUNDS; QUANTUM THEORY; VIBRATION;

EID: 78650135536     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp107254k     Document Type: Article

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