IL | Ionic liquids |
RTIL | Room temperature ionic liquid |
EMIm | 1–Ethyl–3–methylimidazolium |
BF | Tetrafluoroborate |
QM | Quantum Mechanical |
MM | Molecular Mechanical |
MD | Molecular Dynamics |
NPFF | Non–polarizable force fields |
PFF | Polarizable force fields |
GEM | Gaussian Electrostatic Model |
TS | Transition State |
RC | Reaction Coordinate |
GP | Gas–phase |
DCM | Dichloromethane |
ELF | Electron Localization Function |
NCI | Noncovalent Interaction |
BFGS | Broyden–Fletcher–Goldfarb–Shanno |