Electronic excitation spectrum of the photosensitizer [Ir(ppy)2(bpy)]+

Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals

(2011) John S. Sears et al.   JOURNAL OF CHEMICAL PHYSICS

Time-Dependent Density-Functional Description of the1LaState in Polycyclic Aromatic Hydrocarbons: Charge-Transfer Character in Disguise?

(2011) Ryan M. Richard et al.   Journal of Chemical Theory and Computation

Photochemical Fate: The First Step Determines Efficiency of H2 Formation with a Supramolecular Photocatalyst

(2010) Stefanie Tschierlei et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Role of Substitution on the Photophysical Properties of 5,5′-Diaryl-2,2′-bipyridine (bpy*) in [Ir(ppy)2(bpy*)]PF6Complexes: A Combined Experimental and Theoretical Study

(2010) Sébastien Ladouceur et al.   INORGANIC CHEMISTRY

Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals

(2010) Steven E. Wheeler et al.   Journal of Chemical Theory and Computation

Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal−Salens: The M06 Suite of Functionals and the d4-Metals

(2010) Tait Takatani et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dynamics of the Excited States of [Ir(ppy)2bpy]+with Triple Phosphorescence

(2010) Shih-Hsiang Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Light-Driven Hydrogen Generation: Efficient Iron-Based Water Reduction Catalysts

(2009) Felix Gärtner et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal−Salens: The d6-Metals

(2009) Tait Takatani et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Blue Light Emitting Ir(III) Compounds for OLEDs - New Insights into Ancillary Ligand Effects on the Emitting Triplet State

(2009) Andreas F. Rausch et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory

(2009) Tamar Stein et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

A Series of Red-Light-Emitting Ionic Iridium Complexes: Structures, Excited State Properties, and Application in Electroluminescent Devices

(2008) Shu-Juan Liu et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Luminescent Cyclometalated RhIII, IrIII, and (DIP)2RuIIComplexes with Carboxylated Bipyridyl Ligands: Synthesis, X-ray Molecular Structure, and Photophysical Properties

(2008) Jenny B. Waern et al.   INORGANIC CHEMISTRY

Excitation energies in density functional theory: An evaluation and a diagnostic test

(2008) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS

Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal−Salens:  The 3d0-Metals

(2008) John S. Sears et al.   JOURNAL OF PHYSICAL CHEMISTRY A