Materials Literature
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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
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDynamics of spin-state interconversion and cooperativity for ferric spin-crossover complexes in the solid state. 4. Pyruvic acid thiosemicarbazone complexMark D. Timken, Scott R. Wilson, and David N. HendricksonCite this: Inorg. Chem. 1985, 24, 21, 3450–3457Publication Date…
Abstract Blends of poly(ethylene oxide) (PEO) and poly(vinyl acetate) (PVAc) show a unique value of the glass transition temperature, intermediate between that of plain polymers. The addition of PVAc to PEO causes a depression in both the spherulite growth rate ( G ) and the overall kinetic rate constant ( K n ). Such…
Abstract The mean time spent by a macromolecule at a solid/liquid interface is analyzed in the region of adsorption saturation. The method consists of carrying out preliminary adsorption with radioactively labeled high‐molecular‐weight polyacrylamide and subsequently exposing the surface to a solution of unlabeled pol…
A simplified algebraic expression for biofilm kinetics is developed. This mathematical model assumes Monod‐type biological kinetics and diffusive mass transport. The algebraic expression relates the concentration of substrate at the biofilm surface, and the thickness of the biofilm to the substrate utilization rate. T…
Abstract Melt mixtures of a polyarylate based on bisphenol A and tere/isophthalates were made with poly(ethylene terephthalate), several cyclohexane dimethanol‐based polyesters, polycarbonate, and the poly(hydroxy ether) of bisphenol A. The phase behavior was determined using classical methods. With minimum time and t…
Abstract Wood fibers of aspen in the form of chemithermomechanical pulp (CTMP) has been used as reinforcement in polyethylene (PE). The secant modulus, tensile strength, energy, and elongation at yield were measured. It was found that the mechanical properties of the composite were higher than those of PE by a factor…
A simplifed method which requires only a single mirror for making guided-wave gratings (periodic, chirped, and curved) is described, and the properties of gratings fabricated by this method are reported.
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The ground state structure of Si3 is found to be cyclic (1A1, C2v symmetry) with an apex bond angle of ≂80°. The linear form, analogous to the known structure of C3, is found to be a saddle point which transforms without activation to the cyclic structure. There is a low-lying triplet state (3A′2, D3h symmetry) which…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA theoretical study of the heats of formation of silicon hydride (SiHn), silicon chloride (SiCln), and silicon hydride chloride (SiHnClm) compoundsPauline Ho, Michael E. Coltrin, J. S. Binkley, and C. F. MeliusCite this: J. Phys. Chem. 1985, 89, 21, 4647–4654Publication Date…
Abstract Most rheological and rheo‐optical properties of suspensions such as viscosity and light‐scattering intensities can be expressed in terms of the average orientation and/or the average concentration distribution of the suspended particles. In general one can distinguish several distinct regimes: (i) infinitely…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSolubilities of BHT in various solventsShu Sing Chang and John R. MaureyCite this: J. Chem. Eng. Data 1985, 30, 4, 384–387Publication Date (Print):October 1, 1985Publication History Published online1 May 2002Published inissue 1 October 1985https://pubs.acs.org/doi/10.1021/je…
Abstract Bis‐(4‐vinylphenyl) ether (BVPhE) was obtained by the polycondensation of bis‐[4‐(1‐hydroxyethyl)phenyl] ether and subsequent dehydration of the resulting polyether. The kinetics of three‐dimensional polymerization of BVPhE in an inert medium and in the presence of air have been investigated by IR spectroscop…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPolymerization of macrocyclic phospholipid- and surfactant-based vesiclesSteven L. Regen, N. K. P. Samuel, and Jitender M. KhuranaCite this: J. Am. Chem. Soc. 1985, 107, 20, 5804–5805Publication Date (Print):October 1, 1985Publication History Published online1 May 2002Publis…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReactions of .sigma.-bonded alkyl- and aryliron porphyrins with nitric oxide. Synthesis and electrochemical characterization of six-coordinate nitrosyl .sigma.-bonded alkyl- and aryliron porphyrinsR. Guilard, G. Lagrange, A. Tabard, D. Lancon, and K. M. KadishCite this: Inor…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTElectrochemistry and spectroelectrochemistry in indium(III) porphyrins. Reactions of five-coordinate ionic complexesK. M. Kadish, J. L. Cornillon, P. Cocolios, A. Tabard, and R. GuilardCite this: Inorg. Chem. 1985, 24, 22, 3645–3649Publication Date (Print):October 1, 1985Pub…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructure of a lead(II) salt of ethane-1,2-dithiol, a simple analog of therapeutic chelating dithiolsPhilip A. W. Dean, Jagadese J. Vittal, and Nicholas C. PayneCite this: Inorg. Chem. 1985, 24, 22, 3594–3597Publication Date (Print):October 1, 1985Publication History Publish…
(U,Pu)O2 solid solutions are completely soluble in boiling 5 and 10 M nitric acid up to plutonium concentrations of 55 and 65 wt% of PuO2, respectively. The dissolution of the solid solutions decreases drastically at plutonium concentrations above 35 and 40 wt% of PuO2 in 5 and 10 M nitric acid, respectively, with a t…
Article Single crystal X-ray investigation of norsethite, BaMg(CO3)2: one more mineral with an aplanar carbonate group was published on October 1, 1985 in the journal Zeitschrift für Kristallographie - Crystalline Materials (volume 171, issue 1-4).