11 citations · 11 across the 4 of their papers we have counts for
4 papers
Test of the Orbital-Based LI3 Index as a Predictor of the Height of the 3MLCT to 3MC Transition-State Barrier for [Ru(N N)3]2+ Polypyridine Complexes in CH3CN
Ala Aldin M. H. M. Darghouth, Denis Magero, Mark E. Casida
Ruthenium(II) polypyridine compounds often have a relatively long lived triplet metalligand charge transfer (3MLCT) state, making these complexes useful as chromophores for photoac…
Test of the Orbital-Based LI3 Index as a Predictor of the Height of the MLCT MC Transition-State Barrier for Gas-Phase [Ru(NN)] Polypyridine Complexes
Denis Magero, Ala Aldin M. H. M. Darghouth, Mark E. Casida
Luminescence lifetimes of Ruthenium (II) polypyridine compounds is thought to be controlled by the barrier to conversion of triplet metal-ligand charge transfer (MLCT) state…
Computational Studies of Ruthenium and Iridium Complexes for Energy Sciences and Progress on Greener Alternatives
Denis Magero, Tarek Mestiri, Kamel Alimi +1
The energy sciences attempt to meet the increasing world-wide need for energy, as well as sustainability goals, by cleaner sources of energy, by new alternative sources of energy,…
Partial Density of States Ligand Field Theory (PDOS-LFT): Recovering a LFT-Like Picture and Application to Photoproperties of Ruthenium(II) Polypyridine Complexes
Denis Magero, Mark E. Casida, George Amolo +2
Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes. Comparison with X-ra…