A new efficient method for calculation of Frenkel exciton parameters in molecular aggregates

A simplified Tamm-Dancoff density functional approach for the electronic excitation spectra of very large molecules

(2013) Stefan Grimme   JOURNAL OF CHEMICAL PHYSICS

Extensions of the Time-Dependent Density Functional Based Tight-Binding Approach

(2013) A. Domínguez et al.   Journal of Chemical Theory and Computation

Biphasic Self-Assembly Pathways and Size-Dependent Photophysical Properties of Perylene Bisimide Dye Aggregates

(2013) Franziska Fennel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Efficient algorithms for the simulation of non-adiabatic electron transfer in complex molecular systems: application to DNA

(2013) Tomáš Kubař et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum Chemical Parametrization and Spectroscopic Characterization of the Frenkel Exciton Hamiltonian for a J-Aggregate Forming Perylene Bisimide Dye

(2012) D. Ambrosek et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Normal Mode Analysis of the Spectral Density of the Fenna–Matthews–Olson Light-Harvesting Protein: How the Protein Dissipates the Excess Energy of Excitons

(2012) Thomas Renger et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Semiclassical dynamics simulations of charge transport in stacked π-systems

(2011) Felix Plasser et al.   JOURNAL OF CHEMICAL PHYSICS

Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates

(2011) Wenlan Liu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Lessons from nature about solar light harvesting

(2011) Gregory D. Scholes et al.   Nature Chemistry

Photophysical and quantum chemical study on a J-aggregate forming perylene bisimide monomer

(2011) David Ambrosek et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Time-Dependent Atomistic View on the Electronic Relaxation in Light-Harvesting System II

(2010) Carsten Olbrich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Approximate time-dependent density functional theory

(2009) T.A. Niehaus   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Beyond Förster Resonance Energy Transfer in Biological and Nanoscale Systems

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

Amine-capped silicon quantum dots

(2008) Q. S. Li et al.   APPLIED PHYSICS LETTERS

Highly Fluorescent Lyotropic Mesophases and Organogels Based on J-Aggregates of Core-Twisted Perylene Bisimide Dyes

(2008) Xue-Qing Li et al.   CHEMISTRY-A EUROPEAN JOURNAL

Linear absorbance of the pheophorbide-a butanediamine dendrimer P4 in solution: Computational studies using a mixed quantum classical methodology

(2008) Hui Zhu et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical investigation of electronic excitation energy transfer in bichromophoric assemblies

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

Efficient Calculation of Charge-Transfer Matrix Elements for Hole Transfer in DNA

(2008) Tomáš Kubař et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Photophysical study of bay substituted perylenediimides

(2008) Eduard Fron et al.   PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES

Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states

(2008) Arnim Hellweg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initio configuration interaction description of excitation energy transfer between closely packed molecules

(2007) R.F. Fink et al.   CHEMICAL PHYSICS