Multimode simulation of dimer absorption spectra from first principles calculations: Application to the 3,4,9,10-perylenetetracarboxylic diimide dimer

Intermediate vibronic coupling in sexithiophene single crystals. II. Three-particle contributions

(2009) Anna Stradomska et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model

(2009) Carles Curutchet et al.   Journal of Chemical Theory and Computation

Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems

(2009) Vincenzo Barone et al.   Journal of Chemical Theory and Computation

Aggregation of 3,4,9,10-Perylenediimide Radical Anions and Dianions Generated by Reduction with Dithionite in Aqueous Solutions

(2009) Rodrigo O. Marcon et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Beyond Förster Resonance Energy Transfer in Biological and Nanoscale Systems

(2009) David Beljonne et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The J- and H-bands of dye aggregate spectra: Analysis of the coherent exciton scattering (CES) approximation

(2008) J. Roden et al.   CHEMICAL PHYSICS

Assessment of quantum chemical methods and basis sets for excitation energy transfer

(2008) Reinhold F. Fink et al.   CHEMICAL PHYSICS

Quantum Chemical Investigation of Exciton Coupling: Super-Molecular Calculations of a Merocyanine Dimer Aggregate

(2008) Lars Goerigk et al.   CHEMPHYSCHEM

Theoretical investigation of electronic excitation energy transfer in bichromophoric assemblies

(2008) Burkhard Fückel et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum mechanical methods applied to excitation energy transfer: A comparative analysis on excitation energies and electronic couplings

(2008) A. Muñoz-Losa et al.   JOURNAL OF CHEMICAL PHYSICS

Prediction of Vibronic Coupling and Absorption Spectra of Dimers from Time-Dependent Density Functional Theory: The Case of a Stacked Streptocyanine

(2008) Julien Guthmuller et al.   Journal of Chemical Theory and Computation

Resonance Raman Scattering of Rhodamine 6G as Calculated by Time-Dependent Density Functional Theory:  Vibronic and Solvent Effects

(2008) Julien Guthmuller et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates

(2008) Reinhold F. Fink et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY