Materials Literature
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The crystal structures of ZrO 2 and HfO 2 (P2 1 /c) were refined in detail from X‐ray powder diffraction data. The precision obtained for the atom positions for both compounds is comparable to that of previous single‐crystal work.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe nature of the nonframework aluminum species formed during the dehydroxylation of H-YR. D. Shannon, K. H. Gardner, R. H. Staley, G. Bergeret, P. Gallezot, and A. AurouxCite this: J. Phys. Chem. 1985, 89, 22, 4778–4788Publication Date (Print):October 1, 1985Publication His…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTX-ray scattering from poly(thiophene): crystallinity and crystallographic structureZ. Mo, K. B. Lee, Y. B. Moon, M. Kobayashi, A. J. Heeger, and F. WudlCite this: Macromolecules 1985, 18, 10, 1972–1977Publication Date (Print):October 1, 1985Publication History Published onli…
Calculations of bulk and surface defect energies were used to develop a model of the grain structure of doped BaTiO 3 , Segregation processes are expected as a consequence of thermo‐dynamic and kinetic factors and result in the development of n‐i‐n junctions at intergranular contacts, thus leading to the observed PTCR…
The relationship between short-range icosahedral order in metallic glasses and long-range order in icosahedral crystals is explored. Metallic-glass structure factors are assumed to describe liquids in metastable equilibrium just above the glass transition. A density-functional mean-field theory is then used to search…
The structure and properties of thin amorphous carbon films are critically dependent upon the preparation conditions. Hydrogenated amorphous carbon films, prepared by both ion beam sputtering and glow discharge techniques, have been investigated by solid-state 13C magic angle spinning nuclear magnetic resonance measur…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDimerization and stacking in transition-metal bisdithiolenes and tetrathiolatesSantiago Alvarez, Ramon Vicente, and Roald HoffmannCite this: J. Am. Chem. Soc. 1985, 107, 22, 6253–6277Publication Date (Print):October 1, 1985Publication History Published online1 May 2002Publis…
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 ISSUEPREVArticleNEXTX-ray photoelectron spectroscopy of thermally treated silica (SiO2) surfacesMark L. Miller and Richard W. LintonCite this: Anal. Chem. 1985, 57, 12, 2314–2319Publication Date (Print):October 1, 1985Publication History Published online1 May 2002Published inissue 1 October 198…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructure and physical properties of the new layered ternary chalcogenides tantalum nickel sulfide (Ta2NiS5) and tantalum nickel selenide (Ta2NiSe5)Steven A. Sunshine and James A. IbersCite this: Inorg. Chem. 1985, 24, 22, 3611–3614Publication Date (Print):October 1, 1985Pub…
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
An alternative and somewhat systematic definition of the vector spherical harmonics, in analogy with the commonly used scalar spherical harmonics, is presented. The new set of vector spherical harmonics satisfies the properties of orthogonality and completeness, and is compared with other existing definitions of vecto…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTConformational characterization of Bombyx mori silk fibroin in the solid state by high-frequency carbon-13 cross polarization-magic angle spinning NMR, x-ray diffraction, and infrared spectroscopyTetsuo Asakura, Akio Kuzuhara, Ryoko Tabeta, and Hazime SaitoCite this: Macromo…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAerobic epoxidation of olefins with ruthenium porphyrin catalystsJohn T. Groves and Robert QuinnCite this: J. Am. Chem. Soc. 1985, 107, 20, 5790–5792Publication Date (Print):October 1, 1985Publication History Published online1 May 2002Published inissue 1 October 1985https://…
The detailed study of electrical properties in group III impurity doped ZnO thin films prepared by rf magnetron sputtering is described. The resistivity is lowered by doping of B, Al, Ga and In into ZnO films. The characteristic features of ZnO films doped with group III elements except for B are their high carrier co…
We show that the optical phase-conjugated reflectivity from silver and gold colloids is enhanced by several orders of magnitude. The reflectivity on resonance is comparable with that of CS(2) for metal-particle volume concentration of a few parts in 10(6). We trace this enhancement to the nonlinearities of the electro…
Abstract When two paramagnetic transition metal ions are present in the same molecular entity, the magnetic properties can be totally different from the sum of the magnetic properties of each ion surrounded by its nearest neighbors. These new properties depend on the nature and the magnitude of the interaction between…
INTRODUCTION 195 CORROSION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 196 Electrochemical Mechanism . . . . . . . . . ....... ...... . . . . . . . . . . . . . ....... ... 196 Microbi…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPolarons, bipolarons, and solitons in conducting polymersJean Luc Bredas and G. Bryan StreetCite this: Acc. Chem. Res. 1985, 18, 10, 309–315Publication Date (Print):October 1, 1985Publication History Published online1 May 2002Published inissue 1 October 1985https://doi.org/1…
An indexing program, TREOR, mainly based on trial-and-error methods is described. The program contains separate routines for cubic, tetragonal, hexagonal, orthorhombic, monoclinic and triclinic symmetries. Ten years usage has been analysed to improve the original program. For monoclinic indexing a specific short-axis…