A computational acumen into the relative applicability of geometrical and quantum chemical criteria in assessing intramolecular hydrogen bonding (IMHB) interaction: 5-Halosalicylic acids as representative examples
Keywords: مدار بیضوی طبیعی; Density functional theory; Intramolecular hydrogen bonding; Atoms-In-Molecule; Natural Bond Orbital; Molecular electrostatic potential; Resonance assisted hydrogen bond;