Variation of reaction dynamics for OH hydrogen abstraction from glycine between ab initio levels of theory

Journal of Molecular Modeling

Volumn 16, Issue 2, 2010, Pages 175-182

  Lin, Ren Jie ^a   Wu, Chen Chang ^a   Jang, Soonmin ^b   Li, Feng Yin ^a  

^a NATIONAL CHUNG HSING UNIVERSITY   (Taiwan)

^b Sejong University   (South Korea)

Author keywords

Carbon centered radical; Glycine; OH hydrogen abstraction; Reaction pathway

Indexed keywords

GLYCINE; HYDROGEN; HYDROXYL RADICAL;

AB INITIO CALCULATION; ARTICLE; CHEMICAL REACTION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; PREDICTION; PRIORITY JOURNAL; VIBRATION;

GLYCINE; HYDROGEN; HYDROXYL RADICAL; MODELS, CHEMICAL; MODELS, THEORETICAL; ORGANIC CHEMISTRY PROCESSES;

EID: 75949128111     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0532-z     Document Type: Article

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