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. 2025 Dec 2;30(23):4627. doi: 10.3390/molecules30234627
CDFT Conceptual Density Functional Theory
DCM Dichloromethane
DFT Density Functional Theory
FMO Frontier Molecular Orbital
GEDT Global Electron Density Transfer
NBO Natural Bond Order
PTAD 4-Phenyl-1,2,4-Triazole-3,5-dione
TBAF tetrabutylammonium fluoride
TBS tert-Butyl Dimethyl Silyl