Skip to main content
. 2018 Feb 28;23(3):539. doi: 10.3390/molecules23030539
AOPs advanced oxidation processes
CH2=N(+)HCH3 N-methylidenemethylamine
CH3NHCH3 methyl diamine
DFT density functional theory
ΔGaq,calcact theoretically calculated aqueous phase free energy of activation
ΔGaq,calcreact theoretically calculated aqueous phase free energy of reaction
G4 Gaussian-4 theory
HCHO formaldehyde
HCOOH formic acid
HNO2 nitrous acid
HO hydroxyl radicals
HOMO highest occupied molecular orbital
NF nanofiltration
NDEA N-nitrosodiethylamine
NDMA N-nitrosodimethylamine
NMEA N-nitrosomethylethylamine
NO nitric oxide
NO3 nitrate ion
NO2 nitrite ion
ONOO peroxynitrite
O2 superoxide anion radical
QM quantum mechanical
RO reverse osmosis
SMD universal solvation model
TD-DFT time-dependent density functional theory
TS transition state
UV ultraviolet