Materials Literature
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We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wave function based full ab initio description of the central region of the junction combined with a tight binding approximation for the electrodes in the frame of the Keldysh Green's funct…
We have studied the crystal structure and magnetic properties of the organic radical cation salt, BBDTA-InCl4. This material formed a one-dimensional coordination polymer, whose structure was characteristic of inorganic spin-Peierls materials. Magnetic measurements indicated the spin-Peierls transition like behavior a…
New types of tunable composite materials are considered, the effective microwave permittivity of which may depend on an external dc magnetic field or tensile stress. The composites consist of short pieces of conductive ferromagnetic microwires embedded into a dielectric matrix. The short wire inclusions play a role of…
Fluctuation microscopy is a hybrid diffraction-imaging technique that detects medium range order in amorphous materials by examining spatial fluctuations in coherent scattering. These fluctuations appear as speckle in images and diffraction patterns. The volume of material contributing to the speckle is determined by…
Papain (from papaya latex; EC 3.4.22.2) and Pronase (from Streptomyces griseus; EC 3.4.24.31) caused optimum depolymerization of chitosan at pH 3.5 and 37 degrees C, resulting in LMMC (low molecular mass chitosan) and chito-oligomeric-monomeric mixture. The yield of the latter was 14-16% and 14-19% respectively for pa…
Ultrasound, an efficient and virtually innocuous means of activation in synthetic chemistry, has been employed for decades with varied success. Not only can this high-energy input enhance mechanical effects in heterogeneous processes, but it is also known to induce new reactivities leading to the formation of unexpect…
For several centuries fluid dynamics studies have relied upon the assumption that when a liquid flows over a solid surface, the liquid molecules adjacent to the solid are stationary relative to the solid. This no-slip boundary condition (BC) has been applied successfully to model many macroscopic experiments, but has…
Abstract The Dynamic Tube Blocking Test (TBT) method is used to evaluate the efficiency of chemical inhibitors to prevent the formation and deposition of mineral scales such as calcium carbonate, as well as calcium, barium and strontium sulfates. The TBT method aims at (1) determining the Minimum Inhibitor Concentrati…
Abstract A manganese(III) complex salt, TPP[MnIII(Pc)(CN)2]·DCM was crystallized in dichloromethane solution (Pc = phthalocyaninato, TPP+ = tetraphenylphosphonium, and DCM = dichloromethane). In the crystal, Pc molecules form a pair of one-dimensional regular chains along the c axis. The magnetic susceptibility measur…
Single-crystalline platinum nanosheets have been prepared via a new methodology based on the chemical reduction of a platinum salt (H2PtCl6) with hydrazine at a graphite/solution interface, using polyoxyethylene (20) sorbitan monostearate (Tween 60) based self-assembly (hemicylindrical micelle) templates. The platinum…
Hydroxy-terminated poly(2,2-substituted-1,3-propylene oxide) telechelics and co-telechelics bearing semifluorinated (R = -CH(2)OCH(2)(CF(2))(n)CF(3), n = 0, 1) and/or bromomethyl pendant groups were synthesized from the corresponding 3,3-substituted oxetanes. The new telechelics were incorporated in polyurethanes (PUs…
In recent work, it was shown that V-containing polyoxometalates such as (n-Bu4N)7SiW9V3O40 or (n-Bu4N)9P2W15V3O62, as well as eight other V-containing precatalysts tested, evolve to a high activity, long catalytic lifetime (> or = 30,000-100,000 total turnovers) 3,5-di-tert-butylcatechol dioxygenase, in which Pierpont…
[reaction: see text] Bimetallic alkylzinc calixarene inclusion complexes were prepared and used in the ring-opening polymerization of L-lactide. Polymers with high molecular weight and a low degree of polydispersity were obtained. 1H NMR and diffusion NMR experiments suggest that a single-site mechanism is operative.
Abstract We found that the cationic polysaccharide chitosan is an efficient dispersion agent for single-walled carbon nanotubes (SWNTs). The spectroscopic properties of chitosan–SWNTs dispersion are different from sodium dodecyl sulfate (SDS)–SWNTs dispersion in acidic conditions. It has been revealed that chitosan is…
The one-electron reduction of [alpha(2)-Fe(III)(OH(2))P(2)W(17)O(61)](7-) at a glassy carbon electrode was investigated using cyclic and rotating-disk-electrode voltammetry in buffered and unbuffered aqueous solutions over the pH range 3.45-7.50 with an ionic strength of approximately 0.6 M maintained. The behavior is…
The preparation of 2,6-azulenedicarboxylic acid (I) from its diester, 2-CO(2)(t)Bu-6-CO(2)-C(10)H(6) (II), is reported together with the crystal and molecular structure of the ester, II. From the reactions between the dicarboxylic acid I and the MM quadruply bonded complexes M(2)(O(2)C(t)Bu)(4), where M = Mo or W, the…
[Reaction: see text]. Sodium chlorite has been demonstrated to be capable of epoxidizing a variety of olefins at 55-65 degrees C (oil bath). Chlorine dioxide is believed to be the pivotal epoxidizing agent in the reaction on the basis of the mechanistic studies.
Core−shell nanoparticles with a polystyrene core and a hybrid copolymer shell are synthesized via emulsion polymerization of styrene and subsequent addition of γ-methacryloyloxypropyltrimethoxysilane (MPS) to produce the shell by copolymerization reaction of MPS with the residual amount of styrene. The kinetics of cop…
We present a unified model for complete crystal-growth inhibition based on the thermodynamics of interfaces. The premise for our model is that the adsorption of inhibitor leads to a reduction in interfacial tension or edge energy for the crystal surface or step, respectively. In our formulation, the work to add a laye…
We present the first implementation of the quadratic response function for multiconfigurational self-consistent-field wave functions of solvated molecules described by a polarizable continuum model employing a molecule-shaped cavity. We apply the methodology to the first hyperpolarizability beta and, in particular, th…