Broadband visible two-dimensional spectroscopy of molecular dyes
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We report on a first-principles investigation of the structural and vibrational properties of vitreous germania (v-GeO2). Our work focuses on a periodic model structure of 168 atoms, but three smaller models are also studied for comparison. We first carry ...
We determine the fraction f of B atoms belonging to boroxol rings in vitreous boron oxide through a first-principles analysis. After generating a model structure of vitreous B2O3 by first-principles molecular dynamics, we address a large set of properties, ...
In 2-color optical Kerr effect measurements of water, addnl. signals can occur in the pulse overlap region if the energy difference between pump and probe pulses approaches the Raman resonance of the OH-stretch vibration. These features can be understood b ...
Ultrafast infrared transient absorption spectroscopy is used to study the photoinduced bimolecular electron transfer reaction between perylene in the first singlet excited state and 1,4-dicyanobenzene in acetonitrile and dichloromethane. Following vibratio ...
We analyze the principal vibrational spectra of vitreous GeO2 and derive therefrom structural properties referring to length scales beyond the basic tetrahedral unit. We generate a model structure that yields a neutron structure factor in accord with exper ...
The environment is important for the exact course of a chemical reaction. As an example of the strong influence of the environment on the reaction, this work studies the isomerization reaction of the chromophore retinal in the binding pocket of the protein ...
We determine from first principles the finite-temperature properties-linewidths, line shifts, and lifetimes-of the key vibrational modes that dominate inelastic losses in graphitic materials. In graphite, the phonon linewidth of the Raman-active E-2g mode ...
A review. The crucial steps of cellular photoperception are characterized and followed in real time by laser spectroscopy down to a few tens of femtoseconds. The photoactive proteins studied here are involved in major natural processes such as vision (bact ...
We report on a volume holographic imaging spectrometer (VHIS) system which allows retrieval of a scene's two-dimensional spatial information as well as its spectral information. This is performed using a transmission volume hologram and a simple rotary sca ...
Atomic force microscopy has become potent tool for investigating interand intramolecular interactions. Single molecule force spectroscopy on supramolecular guest-host-complexes reveal information about the depth of the binding pocket and thermal off-rates. ...