Materials Literature
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The reliable preparation of microporous membranes capable of molecular‐size exclusion requires the availability of stable microporous and uniform inorganic oxides with a monomodal and narrow pore‐size distribution and a pore diameter maximum below 1 nm. A new method of pore‐size analysis is presented and the optimizat…
The flow of a periodic suspension of two-dimensional viscous drops in a closed channel that is bounded by two parallel plane walls executing relative motion is studied numerically using the method of interfacial dynamics. Ordered suspensions where at the initial instant the drops are arranged in several layers on a he…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPreferential intercalation of isomers of naphthalenecarboxylate ions into the interlayer of layered double hydroxidesHideyuki Tagaya, Shigemitsu Sato, Hiroyuki Morioka, Junichi Kadokawa, Masa Karasu, and Koji ChibaCite this: Chem. Mater. 1993, 5, 10, 1431–1433Publication Dat…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis and photoexcited-state dynamics of aromatic group-bridged carotenoid-porphyrin dyads and carotenoid-porphyrin-pyromellitimide triadsAtsuhiro Osuka, Hiroko Yamada, Kazuhiro Maruyama, Noboru Mataga, Tsuyoshi Asahi, Masaya Ohkouchi, Tadashi Okada, Iwao Yamazaki, and Y…
Creatinase (creatine amidinohydrolase, EC 3.5.3.3) from Pseudomonas putida is a homodimer of 45 kDa subunit molecular mass, the three-dimensional structure of which is known at 1.9 A resolution. Three point mutants, A109V, V355M, and V182I, as well as one double mutant combining A109V and V355M, and the triple mutant…
Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for an ML revolution and have already been profoundly affected by the application of existing ML ...Read More
Halogenated volatile organic compounds are associated with a broad range of industrial processes, but when discharged into the atmosphere they constitute a major source of air pollution. Recognition of the potentially damaging effects that these emissions can have on the environment is leading to increasing demands fo…
Static and dynamic Debye-Waller factors for the Zr(Y)-O shell and the Zr(Y)-Zr(Y) shell have been determined for four zirconia polymorphs from 10 K to room temperature. The apparent Einstein frequencies for cation-O vibrations and the Debye frequencies for cation-cation vibrations have also been obtained from the anal…
The tensile creep and creep strain recovery behavior of 0° and 0°/90° Nicalon‐fiber/calcium aluminosilicate matrix composites was investigated at 1200°C in high‐purity argon. For the 0° composite, the 100‐h creep rate ranged from approximately 4.6 × 10 −9 s −1 at 60 MPa to 2.2 × 10 −8 s −1 at 200 MPa. At 60 MPa, the c…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTEquilibria and kinetics of the reactions between hydrogen peroxide and methyltrioxorhenium in aqueous perchloric acid solutionsShigekazu Yamazaki, James H. Espenson, and Patrick HustonCite this: Inorg. Chem. 1993, 32, 22, 4683–4687Publication Date (Print):October 1, 1993Publ…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAnalysis of the disorder occurring in the crystal structure of syndiotactic polypropyleneFinizia Auriemma, Claudio De Rosa, and Paolo CorradiniCite this: Macromolecules 1993, 26, 21, 5719–5725Publication Date (Print):October 1, 1993Publication History Published online1 May 2…
We utilize a chemical‐kinetics‐based model to describe the rate of crack extension in vitreous silica as a function of the applied stress and the presence of reactive species. Our approach builds upon previous fracture models that treat the atomic bond rupture process at the crack tip as a stressenhanced hydrolysis re…
Molecular-dynamics simulations are performed to determine dynamic correlations in ${\mathrm{SiO}}_{2}$ glass. The frequency and eigenvectors of vibrational normal modes are obtained by diagonalizing the dynamical matrix. Dynamic structure factors, partial and total vibrational density of states (DOS), and participatio…
In this paper we present an equilibrium molecular dynamics study of oligomer (5-mer) films at liquid densities confined between planar simple-cubic surfaces. The systems studied were wide enough to develop a bulklike region in the middle half of the film and two well-separated interfaces. Our work focused on the effec…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTRole of trialkoxysilane functionalization in the preparation of organic-inorganic compositesBradley K. Coltrain, Christine J. T. Landry, James M. O'Reilly, Alexandra M. Chamberlain, Gary A. Rakes, Joseph S. Sedita, Larry W. Kelts, Michael R. Landry, and Victoria K. LongCite…
This contribution describes the rational step-by-step construction of molecular solids useful for the field of molecular electronics. Chain stiffness as a structural principle leads to the design of the macromolecules which already in a molecularly disperse state show effects expected for 1-dimensional solids. Phthalo…
The recent observation of room temperature photoluminescence (PL) from porous Si layers (PSLs) has received considerable attention. Bulk crystalline Si does not luminesce efficiently at room temperature due to the indirect nature of the energy bandgap minimum. The PL from PSLs has been attributed to quantum confinemen…
Silver nitrate and succinic acid react to form the pale yellow prisms of succinatodisilver( I ) ( 1 ). The structure of 1 (shown on the right) contains Ag 4 clusters parallel to the ac plane, each of which are bound to four other clusters through succinato bridges. equation image
Highly nitrogenated amorphous carbon films have been prepared by reactive rf-magnetron sputtering using pure N 2 or Ar/N 2 mixed gases. The nitrogen content measured by Rutherford backscattering spectrometry was 40 at% for pure N 2 gas and 35 at% for Ar75%-N 2 25% mixed gas. Oxygen atoms of about 7 at% were also detec…
Abstract Bis(oxazolyl)benzenes and bis(thiazolyl)benzenes containing fluorine atoms and trifluoromethyl groups in the heteroaromatic moieties have been synthesized. These compounds can be used as monomers for the preparation of poly(arylether oxazole)s and poly(arylether thiazole)s with pendent trifluoromethyl groups.…