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Kinetics and the atomic detail of RNA refolding are only poorly understood. It has been proposed that conformations with transient base pairing interaction are populated during RNA refolding, but a detailed description of those states is lacking. By NMR an ...
Density functional approximations fail to provide a consistent description of weak molecular interactions arising from small electron density overlaps. A simple remedy to correct for the missing interactions is to add a posteriori an attractive energy term ...
Friction and the associated wear are important but still poorly understood phenomena with strong impacts on our every day lives. Several mechanisms, such as plasticity, lattice vibration, and third-body interactions contribute to the dissipation of energy ...
By means of a joint experimental and theoretical approach we provide single molecule imaging and characterization of CO2 on Ni(110), chemisorbed with high charge transfer from the substrate in an activated state that plays a crucial role in the hydrogenati ...
The role of long range dispersion forces plays a significant role in the adsorption of weakly chemisorbed molecules, as demonstrated by our first-principles calculations with the van der Waals density functional (vdW-DF) applied to the model system salicyl ...
Humic substances (HS) play an important role in the reactivity and transport of colloids in natural environments. In particular, the presence of fulvic acids (FA) in natural waters modifies the interactions between inorg. particles and biopolymers and make ...
Results of the single molecule force spectroscopy study of specific interactions between ribonuclease barnase and its inhibitor barstar are presented. Experimental data obtained for the force loading rate ranging 2-70 nN/s are well approximated by a single ...
Although Casimir forces are inseparable from their fluctuations, little is known about these fluctuations in soft matter systems. We use the membrane stress tensor to study the fluctuations of the membrane-mediated Casimir-like force. This method enables u ...
We have developed a straightforward synthetic route to prepare core-shell systems based on gold nanoparticles (NPs) surrounded with J-aggregates molecules. This synthesis allows the direct and efficient coating, at room temperature, of pretreated citrate-s ...
We present a study of atom-wall interactions in non-relativistic quantum electrodynamics by functional integral methods. The Feynman-Kac path integral representation is generalized when the particle interacts with a radiation field, providing an additional ...