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Long-range bonding interactions were evaluated using variable-temperature NMR spectroscopy and suitable 2'-CH2X-substituted phenylpyridines (X = Me, NMe2, OMe, F). It was found that the arylpyridyl rotational barriers were lower when electronegative atoms ...
We report on low-temperature scanning tunneling microscopy and spectroscopy measurements on NC-Ph-3-CN molecules adsorbed at 300 K on a Cu(111) surface. Upon cooling, the molecules form chain and honeycomb structures, incorporating Cu adatoms supplied by t ...
We study particle and spin transport in a single mode quantum point contact using a charge neutral, quantum degenerate Fermi gas with tunable, attractive interactions. This yields the spin and particle conductance of the point contact as a function of chem ...
We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The adopted scheme offers ...
The geometric arrangement of interacting (magnetic) dipoles is a question of fundamental importance in physics, chemistry, and engineering. Motivated by recent progress concerning the self-assembly of magnetic structures, the equilibrium orientation of eig ...
The first experiment showing the effects of specific interaction forces using lateral force microscopy (LFM) was demonstrated for lectin-carbohydrate interactions some years ago. Such measurements are possible under the assumption that specific forces stro ...
Metal-organic frameworks (MOFs) have gained much attention as next-generation porous media for various applications, especially gas separation/storage, and catalysis. New MOFs are regularly reported; however, to develop better materials in a timely manner ...
Protein-protein recognition and binding are governed by diffusion, noncovalent forces and conformational flexibility, entangled in a way that only molecular dynamics simulations can dissect at high resolution. Here we exploited ubiquitin's noncovalent dime ...
Solid-liquid interfaces are ubiquitous. Despite the unquestioned relevance, many scientific research fields rely on simplified or macroscopic descriptions, discarding the molecular nature of the constituents. However, it is the specific molecular interacti ...
The H2O+ radical ion, produced in an electrospray ion source via charge transfer from Eu3+, is encapsulated in benzo-15-crown-5 (B15C5) or benzo-18-crown-6 (B18C6). We measure UV photodissociation (UVPD) spectra of the (H2O·B15C5)+ and (H2O·B18C6)+ complex ...
