ADF	Angular Distribution Function
AIMD	Ab Initio Molecular Dynamics
BOMD	Born–Oppenheimer Molecular Dynamics
CF	Cluster Fit
DF	Dimer Fit
DOS	Density of States
GGA	Generalized Gradient Approximation
HF	Hartree-Fock
IQR	Interquartile Range
LCAO	Linear Combination of Atomic Orbitals
LJ	Lennard–Jones
ML	Monolayer
multiL	Multilayer
NP	Nanoparticle
PDOS	Projected Density of States
QM/MM	Quantum Mechanical/Molecular Mechanical
RDF	Radial Distribution Function
RMSD	Root Mean Square Deviation
vdW	van der Waals