Mononuclear Cr(III)-silica models have been studied by quantum chemical methods with respect to catalytic activity toward dehydrogenation of ethane. Both cluster and slab models have been developed and used to explore the ...

In the past few decades, much effort was put into the development of synthetic strategies to produce nanoparticles of different sizes and morphologies and a large number of scientific contributions is dedicated to the ...

We recently reported the formation of micro- and nanometer thick tubules in a binary system of cholesteryl-modified aminouridine and a phosphatidylcholine in aqueous solution upon cooling from 70 °C to room temperature ...

In the present work, we report an efficient implementation of configuration interaction singles (CIS) excitation energies and oscillator strengths using the multi-resolution analysis (MRA) framework to address the basis-set ...

The ability of an E-configured azobenzene guest to undergo photoisomerisation is controlled by the presence of a complementary host. Addition of base/acid allowed for a weakening/strengthening of the interactions in the ...

A large number of scientific contributions is dedicated to syntheses, characterization and applications of metal nanoparticles. In contrast, only few studies on their formation mechanisms have been reported. In general, ...

Mimicking cellular processes by functional comparable structures helps to understand their molecular mechanism. We report on an oligonucleotide modified with two α-tocopherol anchors mimicking tetherin, a cellular protein ...

The ability of an E-configured azobenzene guest to undergo photoisomerisation is controlled by the presence of a complementary host. Addition of base/acid allowed for a weakening/strengthening of the interactions in the ...