We present the first implementation of femtosecond soft X-ray spectroscopy as an ultrafast direct probe of the excited-state valence orbitals in solution-phase molecules. This method is applied to photoinduced spin crossover of [Fe(tren(py)3)](2+), where the ultrafast spin-state conversion of the metal ion, initiated by metal-to-ligand charge-transfer excitation, is directly measured using the ...

We have investigated the energy landscape of the bacterial photosynthetic peripheral light-harvesting complex LH2 of purple bacterium Rhodopseudomonas acidophila by monitoring sequences of fluorescence spectra of single LH2 assemblies, at room temperature, with different excitation intensities as well as at elevated temperatures, utilizing a confocal microscope. The fluorescence peak wavelength...

The atomic structure of the bacterial light-harvesting complex helps to explain how the energy of sunlight is efficiently absorbed and transferred between bacteriochlorophyll molecules towards the reaction centre.

Finding representative reaction pathways is important for understanding the mechanism of molecular processes. We propose a new approach for constructing reaction paths based on mean first-passage times. This approach incorporates information about all possible reaction events as well as the effect of temperature. As an application of this method, we study representative pathways of excitation m...

When dealing with system-reservoir interactions in an open quantum system, such as a photosynthetic light-harvesting complex, approximations are usually made to obtain the dynamics of the system. One question immediately arises: how good are these approximations, and in what ways can we evaluate them? Here, we propose to use entanglement and a measure of non-Markovianity as benchmarks for the d...

A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-level quantum chemical description of the chemical interactions and local atomic multiplet effects. We show here calculated L-edge X-ray absorption (XA) and resonant inelastic X-ray scattering spectra for aqueous Ni(2+) and XA spectra for a polypyridyl iron complex. Our quantum chemical calculations...

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The efficient water harvesting from air-laden moisture has been a subject of great interest to address world-wide water shortage issues. Recently, it has been shown that tailoring surface wettability can enhance the moisture harvesting performance. However, depending on the harvesting condition, a different conclusion has often been reported and it remains unclear what type of surface wettabili...

In order to reduce the harvest loss and optimize improve comprehensive performance of combine harvester, relationship between feeding quantity, drum torque, speed, loss, other factors wheat harvester is studied, functional quantity speed determined. According test data, model torque a quadratic function. For land with uniform growth, size mainly affected by forward harvester. this way, paper in...

one of the important bottle-necks in production of microalgae based biodiesel is thelack of an efficient method for harvesting of microalgae from the culture medium. in thisstudy, the electroflocculation method was developed for harvesting of microalgaedunaliella cells from culture medium. the effect of several parameters such as thecurrent density, electrical conductivity of culture medium, ti...