Organic Solar Cells

Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex

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Direct View on Nanoionic Proton Mobility

Conformation, Defects, and Dynamics of a Discotic Liquid Crystal and Their Influence on Charge Transport

Direct Determination of the Base-Pair Force Constant of DNA from the Acoustic Phonon Dispersion of the Double Helix

Density functional calculations of potential energy surface and charge transfer integrals in molecular triphenylene derivative HAT6

Molecular Modelling of Ground- and Excited-States Vibrations in Organic Conducting Devices: Hexakis(n-hexyloxy)triphenylene (HAT6) as Case Study

Intermolecular interactions in solid benzene

Neutron inelastic scattering and molecular modelling

Phonon driven proton transfer in crystals with short strong hydrogen bonds

How phonons govern the Behavior of short, strong hydrogen bonds in ureaphosphoric acid

A compact model system for electron-phonon calculations in discotic materials

A compact model system for electronphonon calculations in discotic materials

Studies on the microstructural behaviour of MgH2 using neutron, positron and electron analysis

Combining simulations and neutron scattering experiments: from models to systems of biological and technological interest

Structural information on ball milled magnesium hydride from vibrational spectroscopy and ab-initio calculations

The vibrational spectrum of magnesium hydride from inelastic neutron scattering and density funcional theory

The vibrational spectrum of magnesium hydride from inelastic neutron scattering and Density Functional Theory

Structure and vibrational dynamics of the strongly hydrogen-bonded model peptide: N-methyl acetamide