Simple and accurate correlation of experimental redox potentials and DFT-calculated HOMO/LUMO energies of polycyclic aromatic hydrocarbons

Expanding and Testing a Computational Method for Predicting the Ground State Reduction Potentials of Organic Molecules on the Basis of Empirical Correlation to Experiment

(2012) Eugene J. Lynch et al.   JOURNAL OF ORGANIC CHEMISTRY

Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes

(2012) Jeffrey S. Meisner et al.   Chemical Science

Electrochemical Considerations for Determining Absolute Frontier Orbital Energy Levels of Conjugated Polymers for Solar Cell Applications

(2011) Claudia M. Cardona et al.   ADVANCED MATERIALS

Experimental and Computed Absolute Redox Potentials of Polycyclic Aromatic Hydrocarbons are Highly Linearly Correlated Over a Wide Range of Structures and Potentials

(2010) Anthony P. Davis et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Novel Zinc Porphyrin Sensitizers for Dye-Sensitized Solar Cells: Synthesis and Spectral, Electrochemical, and Photovoltaic Properties

(2008) Cheng-Wei Lee et al.   CHEMISTRY-A EUROPEAN JOURNAL

Efficient Computational Methods for Accurately Predicting Reduction Potentials of Organic Molecules

(2008) Amy L. Speelman et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular Engineering of Organic Sensitizers for Dye-Sensitized Solar Cell Applications

(2008) Daniel P. Hagberg et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY