How does an SN2 reaction take place in solution? Full Ab iInitio MD simulations for the hydrolysis of the methyl diazonium ion

Journal of the American Chemical Society

Volumn 130, Issue 8, 2008, Pages 2396-2397

  Sato, Makoto ^a   Yamataka, Hiroshi ^a   Komeiji, Yuto ^b   Mochizuki, Yuji ^a   Ishikawa, Takeshi ^a   Nakano, Tatsuya ^c  

^a RIKKYO UNIVERSITY   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DIAZONIUM COMPOUND; METHYL DIAZONIUM; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; HIGH TEMPERATURE; HYDROLYSIS; SIMULATION;

COMPUTER SIMULATION; DIAZONIUM COMPOUNDS; HYDROLYSIS; IONS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTUM THEORY; SOLUTIONS; STEREOISOMERISM;

EID: 39749109342     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja710038c     Document Type: Article

References (14)