相关论文: Effect of Na(I) on Bioavailability for Cr(VI)_ and…

Using a time-dependent perturbation theory, vibrational energy relaxation (VER) of isotopically labeled amide I modes in cytochrome c solvated with water is investigated. Contributions to the VER are decomposed into two contributions from…

Reactions at solid-water interfaces play a foundational role in water treatment systems, catalysis, chemical separations, and in predicting chemical fate and transport in the environment. Over the last century, experimental measurements and…

Ability to encapsulate molecules is one of the outstanding features of nanotubes. The encapsulation alters physical and chemical properties of both nanotubes and guest species. The latter normally form a separate phase, exhibiting…

Type-I clathrates with a cage structure are known to be of importance for thermoelectric applications as the cage can be filled with a guest atom which leads to reduced thermal conductivity. Among the type-I clathrates, Si-based alloys are…

We present an analysis of interstellar Na I (lambda=3302.37\AA, 3302.98\AA), Ti II (lambda=3383.76\AA) and Ca II K (lambda=3933.66\AA) absorption features for 74 sightlines towards O- and B-type stars in the Galactic disc. The data were…

Bacteria biodegradation of immiscible oil requires cell-droplet encounters, surface attachment, and hydrocarbon metabolism. Chemical dispersants are applied to oil spills to reduce the mean dispersed droplet size, thereby increasing the…

We report the measurements of thermopower, electrical resistivity and thermal conductivity in a complex cobalt oxide Li$_{0.48}$Na$_{0.35}$CoO$_{2}$, whose crystal structure can be viewed as an intergrowth of the O3 phase of…

Biomolecular condensates form by phase separation of biological polymers and have important functions in the cell $-$ functions that are inherently connected to their physical properties. A remarkable aspect of such condensates is that…

The effect of oxygen adsorption on the local structure and electronic properties of monolayer graphene grown on SiC(0001) has been studied by means of Low Energy Electron Microscopy (LEEM), microprobe Low Energy Electron Diffraction…

Present study investigates the photoabsorption properties of single crystal rutile TiO2 (110) surfaces after they have been implanted with low fluence of Cobalt ions. The surfaces, after implantation, demonstrate fabrication of…

Stability, reactivity and aromaticity of clusters of various noble gas atoms trapped in aromatic H3+ and Li3+ rings are studied at the B3LYP/6-311+G(d) and MP2/6-311+G(d) levels of theory. Electrophilicity, gain in energy and nucleus…

The thermally activated fracture processes in the carbon backbone of diamond-like carbon nanothreads and the hydrogen desorption from them has been studied by the molecular dynamics method. Specifically, the temperature dependence of the…

The alloying effect on the lattice parameters, isostructural mixing enthalpies and ductility of the ternary nitride systems Cr1-xTMxN (TM=Sc, Y; Ti, Zr, Hf; V, Nb, Ta; Mo, W) in the cubic B1 structure has been investigated using…

We evaluate the rate of the absorption of an optical nanofiber mode by a Cs atom in an electric quadrupole transition. With the Cs atom localized near the outer surface of the optical nano-fiber, an interaction occurs between the atomic…

Biological water is an ionic solution containing both monovalent and divalent ions. However, the effects of divalent ions on the dynamics of biological water remain largely unknown. Here, we investigate how the transport dynamics of water…

Swimming bacteria detect chemical gradients by performing temporal comparisons of recent measurements of chemical concentration. These comparisons are described quantitatively by the chemotactic response function, which we expect to…

We report the structural, magnetic and electrical transport properties of Y$_2$Ir$_{2-x}$Cr$_x$O$_7$ pyrochlore iridates. The chemical doping leads to order of magnitude enhancement of electrical conductivity. The introduction of Cr3+ at…

Using density-functional theory (DFT), we investigate the selectivity of adsorption of CO2 over N2 and CH4 on planar-type B clusters, based on our previous finding of strong chemisorption of CO2 on the B10-13 planar and quasiplanar…

We report on thermoelectric properties of nanocrystalline Cr$_{\rm 1-x}$Si$_{\rm x}$ composite films. As-deposited amorphous films were transformed into a nanocrystalline state with average grain size of 10--20~nm by annealing during…

Almost 20 % of the ~ 200 different species detected in the interstellar and circumstellar media present a carbon atom linked to nitrogen by a triple bond. Of these 37 molecules, 30 are nitrile R-CN compounds, the remaining 7 belonging to…