Journal Article Research Support, Non-U.S. Gov't 789U1901C5 Copper E66400VT9R Guanidine JU58VJ6Y3B Quinolines copper density functional theory quinoline Coordination Complexes Organometallic Compounds Oxygen Peroxides S88TT14065 TD-DFT charge decomposition analysis copper complex • charge transfer • TD-DFT • MBPT • GW copper thiolate complexes guanidine ligand-to-metal charge-transfer many-body perturbation theory oxygen plane wave time-dependent density functional theory time-dependent-DFT