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. 2024 Mar 8;25(6):3118. doi: 10.3390/ijms25063118
CPCM Conductor-like Polarizable Continuum Model
DFT Density Functional Theory
DNA Deoxyribonucleic Acid
HOMO Highest Occupied Molecular Orbital
IEF Integral Equation Formalism
IRC Intrinsic Reaction Coordinate
P Product
PC Product Complex
PES Potential Energy Surface
PCM Polarizable Continuum Model
R Reactant
RC Reactant Complex
RNA Ribonucleic Acid
TS Transition State
TST Transition State Theory