How does an S(N)2 reaction take place in solution? Full ab initio MD simulations for the hydrolysis of the methyl diazonium ion.
Sato
Makoto
M
Department of Chemistry, Rikkyo University, Toshima-ku, Tokyo 171-8501, Japan.
Yamataka
Hiroshi
H
Komeiji
Yuto
Y
Mochizuki
Yuji
Y
Ishikawa
Takeshi
T
Nakano
Tatsuya
T
D003198:Computer Simulation; D003979:Diazonium Compounds / Q000737:chemistry*; D006868:Hydrolysis; D007477:Ions / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D011789:Quantum Theory; D012996:Solutions / Q000737:chemistry; D013237:Stereoisomerism
D003979:Diazonium Compounds; D007477:Ions; D012996:Solutions