机译:Density function theory calculation to study the oxidation potential of electron-donating compounds; affirming the oxidation mechanism by NICS calculations
Payame Noor Univ PNU;
Univ Mohaghegh Ardabili;
Univ Tehran;
Quantum chemical calculations; DFT; NICS; Oxidation mechanism; Oxidation potentials; Electron-donating compounds; QUANTITATIVE STRUCTURE-ACTIVITY; INDEPENDENT CHEMICAL-SHIFTS; NS5B POLYMERASE INHIBITORS; REDOX POTENTIALS; GA-MLR; QSAR; REDUCTION; DONORS; AROMATICITY; SALTS;