Does amination of formaldehyde proceed through a zwitterionic intermediate in water? Fragment molecular orbital molecular dynamics simulations by using constraint dynamics.
Sato
Makoto
M
Department of Chemistry and Research Center for Smart Molecules, Rikkyo University, Toshima-ku, Tokyo 171-8501, Japan. 08rb002d@rikkyo.ac.jp
Yamataka
Hiroshi
H
Komeiji
Yuto
Y
Mochizuki
Yuji
Y
Nakano
Tatsuya
T
D000586:Amination; D005557:Formaldehyde / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D014867:Water / Q000737:chemistry*
D014867:Water; D005557:Formaldehyde