Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAb initio calculations of polarizabilities and second hyperpolarizabilities in organic molecules with extended .pi.-electron conjugationPratibha Chopra, Louis Carlacci, Harry F. King, and Paras N. PrasadCite this: J. Phys. Chem. 1989, 93, 20, 7120–7130Publication Date (Print…
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
Transmission Laue diffraction photographs can be recorded with short exposure times from stationary macromolecular and small-molecule crystals. With the use of a broad wavelength band a very large number of reflections is stimulated in a single `snapshot' of large regions of reciprocal space. Processing software has b…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTElectronic and Raman spectroscopic properties of oxo-bridged dinuclear iron centers in proteins and model compoundsJoann Sanders-Loehr, William D. Wheeler, Andrew K. Shiemke, Bruce A. Averill, and Thomas M. LoehrCite this: J. Am. Chem. Soc. 1989, 111, 21, 8084–8093Publicatio…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTX-ray diffraction study of mesophases of cetyltrimethylammonium bromide in water, formamide, and glycerolX. Auvray, C. Petipas, R. Anthore, I. Rico, and A. LattesCite this: J. Phys. Chem. 1989, 93, 21, 7458–7464Publication Date (Print):October 1, 1989Publication History Publ…
In order to study the effects of factors governing the bioabsorption rate of polylactides, implantation tests were carried out in rabbits using various samples (20 x 10 x 2 mm3) differing in their chemical composition, residual monomer content, and molecular orientation. Copolymer samples with a higher lactic acid con…
The orientation distribution function (ODF) of the crystallites of polycrystalline materials can be calculated from experimentally measured pole density distribution functions (pole figures). This procedure, called pole-figure inversion, can be achieved by the series-expansion method (harmonic method). As a consequenc…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA new molecular ordering in helical liquid crystalsJ. W. Goodby, M. A. Waugh, S. M. Stein, E. Chin, R. Pindak, and J. S. PatelCite this: J. Am. Chem. Soc. 1989, 111, 21, 8119–8125Publication Date (Print):October 1, 1989Publication History Published online1 May 2002Published…
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
A1 (purity, 99·7%) with 0·1 or 2 mm grains was torsionally deformed at 400°C and 0·2s-1 up to equivalent strains of 60. Tangential sections were examined by polarized light, transmission electron microscopy and scanning electron microscopy. The grains wound into helicoids with an axial thickness varying inversely with…
An interactive program, POWD, written in Fortran77, for powder diffraction data interpretation and indexing is described. Various functions such as the least-squares refinement and the systematic absence test are also included in this versatile program. The modified de Wolff figure of merit [Wu (1988). J. Appl. Cryst.…
Peptidylarginine deiminase (proteinarginine iminohydrolase, EC 3.5.3.15) converted some arginine residues to citrulline residues in soluble vimentin, in a micromolar Ca2+-dependent manner and resulted in the loss of polymerization competence of the intermediate filament protein. When about 8 mol of residues/mol of vim…
The lattice model for linear polymeric glasses proposed by Gibbs and Di Marzio several decades ago is used to calculate the average relaxation time for the structure of the model as a function of temperature. Using the fact that the model exhibits the existence of a temperature ${T}_{0}$ for which the configurational…
The pressure drop and wetting film thickness for isolated bubbles and bubble trains moving in circular and square capillaries are computed. An arclength-angle formulation of a composite lubrication equation allows for the numerical matching of the lubrication solution of the transition region to the static profiles aw…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAsymmetric hydroxylation by a chiral iron porphyrinJohn T. Groves and Peter ViskiCite this: J. Am. Chem. Soc. 1989, 111, 22, 8537–8538Publication Date (Print):October 1, 1989Publication History Published online1 May 2002Published inissue 1 October 1989https://pubs.acs.org/do…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructure of a grafted polymer brush: a molecular dynamics simulationMichael Murat and Gary S. GrestCite this: Macromolecules 1989, 22, 10, 4054–4059Publication Date (Print):October 1, 1989Publication History Published online1 May 2002Published inissue 1 October 1989https://…
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
By means of a gas‐tight electrochemical cell, oxygen permeation measurements have been performed on the oxygen ion conductor 8 mole percent (m/o) yttria‐stabilized zirconia, as a function of T (800°–1050°C) and p O 2 (0.21–10 −17 atm). Ionic conductivity was measured by the conventional four‐probe method. The followin…
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
Geometric measure theory is the mathematical framework for the study of crystal growth, clusters of soap bubbles, and similar structures involving minimization of energy. Morgan emphasizes geometry over proofs and technicalities, and includes a bibliography. This Second Edition features a new chapter on soap bubbles.