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. 2026 Jun 4;19(11):2400. doi: 10.3390/ma19112400
NMR nuclear magnetic resonance
DMSO-d6 deuterated dimethyl sulfoxide
TMS tetramethylsilane
J spin-spin coupling constant
TLC thin layer chromatography
HOMO highest occupied molecular orbital
LUMO lowest unoccupied molecular orbital
DFT density functional theory
MEP molecular electrostatic potential
mp melting point
Rf retention factor
ESI electrospray ionization
HRMS high-resolution mass spectrometry
PCM polarizable continuum model
IP ionization potential
EA electron affinity
χ electronegativity
η chemical hardness
S chemical softness
GIAO gauge-including atomic orbital