Materials Literature
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Quantum chemical calculations can provide reliable information on the geometric and electronic structures of a variety of advanced materials wich can be used to design or predict their electrical or optical properties. The success of the approach does not always depend on the use of the most sophisticated calculationa…
A structural investigation of liquid D2O was performed by neutron scattering at pressures up to 6 kbar and in a range of temperatures from 53 down to −65 °C. Some comparison is made with Monte Carlo (MC) and molecular dynamics (MD) simulations. In particular, the results are used to test some recent MD simulations lea…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHydrogen Bonding in Organometallic Crystals. 2. C-H.cntdot. .cntdot. .cntdot.O Hydrogen Bonds in Bridged and Terminal First-Row Metal CarbonylsDario Braga, Fabrizia Grepioni, Kumar Biradha, V. R. Pedireddi, and Gautam R. DesirajuCite this: J. Am. Chem. Soc. 1995, 117, 11, 31…
Abstract The Raman intensity of K 2 MCl 6 (M = Pt or Sn) was analysed using the many‐body model, which treats the interaction among induced dipoles. The result was satisfactory of K 2 PtCl 6 , but not for K 2 SnCl 6 . Some improvements to the model were made. It is concluded that the preferred method for analysing sim…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTRare Earth Metal Boron Carbide MBC Compounds Containing Monodimensional Branched Zigzag Chains of non-metal Atoms: Theoretical AspectsFabrice Wiitkar, Samia Kahlal, Jean-Francois Halet, Jean-Yves Saillard, Josef Bauer, and Peter RoglCite this: Inorg. Chem. 1995, 34, 5, 1248–…
Abstract Nitrogen BET surface area is a highly accurate predictor of the physical performance of silica-filled and silica and carbon black-filled, cured organic rubber compounds. The effectiveness of predicting performance of a high-temperature-vulcanized, high-consistency silicone rubber, based on precipitated silica…
Abstract The effects of compatibilizing agents on the morphology and properties of high density polyethylene (HDPE) and polyamide‐6 blends were investigated. The ternary blends were studied with the objective of understanding and optimizing the compatibilization of HDPE and polyamide‐6. The blends were prepared by mel…
Low-frequency dielectric properties of nematic liquid crystal (NLC) cells with and without polyimide alignment layers have been investigated with impedance spectroscopy. It is found that the dielectric behavior in the low frequency regime of NLC cells without polyimide alignment layers can be successfully explained in…
The measurement of x -ray diffraction line intensities is the basis for quantitative phase analysis (see for example, Chung (1974), Davis (1986), and Hubbard and Snyder (1988)). While there are many sources of error in such measurements, in recent years computer automation of powder diffractometers and associated anal…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDesulfurization of Hot Coal-Derived Fuel Gases with Manganese-Based Regenerable Sorbents. 3. Fixed-Bed TestingR. Ben-Slimane and M. T. HepworthCite this: Energy Fuels 1995, 9, 2, 372–378Publication Date (Print):March 1, 1995Publication History Published online1 May 2002Publi…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAzobenzimidazole Compounds and Polymers for Nonlinear OpticsElisa M. Cross, Kenneth M. White, Robert S. Moshrefzadeh, and Cecil V. FrancisCite this: Macromolecules 1995, 28, 7, 2526–2532Publication Date (Print):March 1, 1995Publication History Published online1 May 2002Publi…
Isoporphyrins are porphyrin tautomers with a saturated meso carbon and thus an interrupted π system. We report here steady-state optical absorption, fluorescence, and fluorescence polarization data as well as time-resolved results that detail the significant effects of porphyrine tautomerization on the photophysical p…
Abstract Single crystals of nearly stoichiometric CuMnO 2 were grown using a LiBO 2 flux. They crystallize in the monoclinic space group C 2/ m with cell parameters a = 557.8(6) pm, b = 288.1(2) pm, c = 588.6(7) pm, β = 104.00(5)° and Z = 2. The structure can be described as a close packing of linear [O–Cu–O] 3− group…
The removal efficiency of methyl iodide for silver-impregnated alumina from gaseous waste has been experimentally evaluated as a function of atmospheric relative humidity. A new adsorbent has been developed for the iodine filter installed in the off-gas treatment system of a radioactive waste tank vent. To improve its…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAb Initio MO Study of the CO2 Insertion into the Cu(I)-R Bond (R = H, CH3, or OH). Comparison between the CO2 Insertion and the C2H4 InsertionShigeyoshi Sakaki and Yasuo MusashiCite this: Inorg. Chem. 1995, 34, 7, 1914–1923Publication Date (Print):March 1, 1995Publication Hi…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTEffects of Ionic Conductivities of Zirconia Electrolytes on Polarization Properties of Platinum Anodes in Solid Oxide Fuel CellsHiroyuki Uchida, Manabu Yoshida, and Masahiro WatanabeCite this: J. Phys. Chem. 1995, 99, 10, 3282–3287Publication Date (Print):March 1, 1995Public…
Abstract The bulk phase kinetics of an epoxy (DGEBA) /amine (DDS) thermoset have been studied using DSC, FTIR, and 13 C‐NMR. In the absence of catalyst, the reaction was found to involve a main exothermic reaction between epoxide and amine hydrogen and a side reaction between tertiary amine formed in the main reaction…
Aluminum solubility and release rates were studied for A horizons of three nonallophanic Andosols and for a Bhs horizon of one Spodosol that had active Al fractions dominated by Al-humus complexes. The A horizon of one allophanic Andosol was also used for comparison. Aluminum solubility relationships over the pH range…
Abstract A novel separation process, phase transition extraction, proposed in this article uses solvents that have a critical point of miscibility with the feed liquid to be extracted. Alternate heating and cooling across the coexistence curve leads alternatively to a homogeneous phase or two separate phases. The form…
The effectiveness of several metallographic techniques used to reveal the solidification structure of nodular iron has been evaluated by quantitative metallography. A colour metallography reagent, sensitive to microsegregation, provides the best results, and the correlation between the colouring and the microsegregati…