Materials Literature
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We present QSPR models for normal boiling points employing a neural network approach and descriptors calculated using semiempirical MO theory (AM1 and PM3). These models are based on a data set of 6000 compounds with widely varying functionality and should therefore be applicable to a diverse range of systems. We incl…
Different types of ordered solid films of oxotitanium(IV) phthalocyanine (OTiPc) were grown in 50−500 nm thickness by vacuum deposition onto such conventional substrates as metal- and ITO-coated glass and neat glass at a rate of ∼0.05 nm s - 1 . Under 10 - 3 −10 - 4 Pa isotropic films with short-range molecular organi…
We investigated the problem of adsorption of a single semiflexible polymer chain on to a planar, homogeneous surface using off-lattice Monte Carlo simulations. Adsorption characteristics were studied at different temperatures for chains of various stiffnesses. We have found that the stiffer chains adsorb more onto the…
Ab initio molecular orbital and density functional calculations on isodesmic disproportionation reactions of nitrated cubanes indicate that the repulsion between nitro groups on adjacent carbons in octanitrocubane (ONC) is surprisingly small and that the energy required for successive substitutions of nitro groups on…
An intimate relation between structure and mechanical properties of regenerated cellulose (Rayon, Benberg, etc.) has been investigated by measuring the humidity and temperature dependencies of infrared spectra, X-ray diffraction, and dynamic viscoelastic properties. At first the dynamic viscoelastic property and the i…
How fast a droplet will spread on a solid surface depends on the surface tension gradient and the wettability. The temperature dependence of the surface tension is exploited in a so-called Marangoni flow, but capillary forces can counteract this type of flow. Wasan et al. highlight the report by Danielet al., who have…
Typically single-particle SEM/EDX analysis of aerosols is done on polycarbonate filters or solid carbon substrates. This has led to a widespread conclusion that EDX provides poor information on carbon, oxygen, and nitrogen content of a particle and usually could not go below 0.5-microm particles. We show that use of g…
The acid and surface properties of WO x −ZrO 2 solid acid catalysts were examined as a function of WO x surface density. Surface density strongly influences the size and electronic properties of WO x domains and the rate of acid-catalyzed reactions on these materials. The adsorption and isotopic exchange of acid and r…
A cluster Monte Carlo method for systems of classical spins with purely dipolar couplings is presented. It is tested and applied for finite arrays of perpendicular Ising dipoles on the triangular lattice. This model is a modification with long-range interactions of the geometrically frustrated Ising antiferromagnet. F…
The relativistic generalization of the theory of superconductivity is reviewed with respect to its conceptual basis and first applications. The construction of relativistically covariant order parameters for superconductors is outlined and the generalization of the Dirac equation for the superconducting state is prese…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTMesoporous Polystyrene MonolithsAndrew S. Zalusky, Roberto Olayo-Valles, Charles J. Taylor, and Marc A. HillmyerView Author Information Department of Chemistry, University of Minnesota Minneapolis, Minnesota 55455 Cite this: J. Am. Chem. Soc. 2001, 123, 7, 1519–1520Pub…
The melt rheology of linear poly(lactic acid)s (PLA) characterized by a high content of the l -form of the monomer is comprehensively investigated. Measurements of dynamic, steady, and transient shear viscosities are presented. Extensional data on PLA are presented for the first time and show a strong strain hardening…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTA Novel Europium(III)-Based MRI Contrast AgentShanrong Zhang, Patrick Winter, Kuangcong Wu, and A. Dean SherryView Author Information Department of Chemistry, University of Texas at Dallas P.O. Box 830688, Richardson, Texas 75083 Department of Radiology Rogers Magnetic…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTNew Hybrid Organic−Inorganic Solids with Helical Morphology via H-Bond Mediated Sol−Gel Hydrolysis of Silyl Derivatives of Chiral (R,R)- or (S,S)-DiureidocyclohexaneJoël J. E. Moreau, Luc Vellutini, Michel Wong Chi Man, and Catherine BiedView Author Information Laborat…
The synthesis and structural analysis of two constitutional isomeric libraries of self-assembling AB 2 monodendrons based on 3,4- and 3,5-disubstituted benzyl ether internal repeat units containing four different first generation monodendrons, i.e., 3,4,5-tris( n -dodecan-1-yloxy)benzyl ether, 3,4-bis( n -dodecan-1-yl…
This paper describes the design and preparation of thin polymeric films that resist the adsorption of proteins and the adhesion of bacteria to an extent comparable to, or better than, self-assembled monolayers (SAMs) that present tri(ethylene glycol) groups. These polymeric films were prepared by the reaction of a pol…
The movement of liquid drops on a surface with a radial surface tension gradient is described here. When saturated steam passes over a colder hydrophobic substrate, numerous water droplets nucleate and grow by coalescence with the surrounding drops. The merging droplets exhibit two-dimensional random motion somewhat l…
The problem of both phonon and electron scattering by long-range strain fields caused by wedge disclination dipoles (WDD) is studied in the framework of the deformation potential approach. The exact analytical results for the mean free path are obtained within the Born approximation. The WDD-induced contribution to th…
Copolymers composed of various amounts of 4‘-(11-acryloyloxyundecyloxy)biphenyl-4-carboxylic acid (11ABA) and acrylic acid (AA), poly(11ABA- co -AA)s, were synthesized, and their liquid crystalline structures were investigated both in dry and in water-swollen states. Wide- and small-angle X-ray studies revealed that b…
Local mirror-symmetry-breaking deformations such as flattening strongly affect electron coherent transport in single-wall armchair carbon nanotubes. Such a local deformation gives rich structures in electron transmission, such as a transmission barrier, resonances, and antiresonances. When local deformations create ba…