Density Functional Theory (DFT) Calculations

Regioselectivity Yield Selectivity Cascade reaction Steric hindrance Chromatography Mass spectrometry (MS) Leaving group Steric Effects Chemoselectivity Electronic effects Nonlinear Optical Properties Electrochemical Properties Substrate Scope Radical Addition Antitumor Activity Hydrazone Linkage Structure-Activity Relationship (SAR) Homolytic Cleavage Heterolytic Cleavage Quenching Radical Coupling Intermolecular Radical Cyclization Photocatalysis Cytotoxicity Testing Activation Energy Synchrotron Radiation Spectroscopic Characterization Linear Optical Properties Nucleophilicity Radical Initiation Electrochemical Analysis Spectroscopic Analysis Kinetic Control Thermodynamic Control Radical Chain Reaction Radical Alkylation Potential Energy Surface (PES) Isotope Labeling Electrophilicity In vitro assay Oxidation state Mechanistic study Transition state Arrhenius equation Spin Density π-conjugation Radical intermediate Chain propagation