BD	Bürgi–Dunitz
DFT	Density functional theory
ESI-MS	Electrospray ionization mass spectrometry
H/D	Hydrogen/deuterium
HPLC	High-performance liquid chromatography
IRC	Intrinsic reaction coordinate
KIE	Kinetic isotope effect
NG	Asn-Gly, asparagine-glycine
NMR	Nuclear magnetic resonance
PCET	Proton-coupled electron transfer
QM	Quantum mechanical
TS	Transition state