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. 2022 Nov 25;23(23):14719. doi: 10.3390/ijms232314719
DFT Density Functional Theory
EDD electron density distribution
QTAIM Quantum Theory of Atoms in Molecules
BCP bond critical point
RCP ring critical point
LDA Local Density Approximation
GGA Generalized Gradient Approximation method
M-GGA meta-GGA functional
H-GGA hybrid GGA functional
HM-GGA hybrid M-GGA functional
DH-GGA double-hybrid GGA functional