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A dynamic lattice searching method for fast optimization of Lennard–Jones clusters

Xueguang Shao、Longjiu Cheng、Wensheng Cai2004-08-11Journal of Computational Chemistry

A highly efficient unbiased global optimization method called dynamic lattice searching (DLS) was proposed. The method starts with a randomly generated local minimum, and finds better solution by a circulation of construction and searching of the dynamic lattice (DL) until the better solution approaches the best solut…

Computational Drug Discovery MethodsX-ray Diffraction in CrystallographyMachine Learning in Materials Science

Single-Phase Synthesis of Functionalized Gold Nanoparticles

Michael P. Rowe、Katherine E. Plass、Ki‐Bum Kim 等 6 位作者2004-08-11Chemistry of Materials

A single-phase synthesis of thiolate monolayer-protected gold clusters (MPCs) is described. This method avoids the problem of persistent ionic contamination from residual phase-transfer catalyst while retaining the versatility associated with the commonly used two-phase Brust synthesis. MPCs having alkyl, diphenylacet…

Molecular Junctions and NanostructuresNanocluster Synthesis and ApplicationsGold and Silver Nanoparticles Synthesis and Applications

Structural characteristics of positionally-disordered lattices: relation to the first sharp diffraction peak in glasses

J. K. Christie、S. N. Taraskin、S. R. Elliott2004-08-11arXiv

Positional disorder has been introduced into the atomic structure of certain crystalline lattices, and the orientationally-averaged structure factor S(k) and pair-correlation function g(r) of these disordered lattices have been studied. Analytical expressions for S(k) and g(r) for Gaussian positional disorder in 2D an…

cond-mat.dis-nnMaterials Science

Inorganic nanotubes

Reshef Tenne、C. N. R. Rao2004-08-11Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences

Following the discovery of carbon fullerenes and carbon nanotubes, it was hypothesized that nanoparticles of inorganic compounds with layered (two-dimensional) structure, such as MoS(2), will not be stable against folding and form nanotubes and fullerene-like structures: IF. The synthesis of numerous other inorganic n…

Boron and Carbon Nanomaterials ResearchFullerene Chemistry and ApplicationsGraphene research and applications

Reply to a Comment of M. Continentino on "Universally diverging Gruneisen parameter and the magnetocaloric effect close to quantum critical points"

Lijun Zhu、Markus Garst、Achim Rosch 等 4 位作者2004-08-11arXiv

We show that the comment [cond-mat/0408217] by Continentino on our recent paper [PRL 91, 066404 (2003), cond-mat/0212335] reaches incorrect conclusions as the comment wrongly extrapolates from results valid close to a classical phase transition into the quantum critical regime.

Materials ScienceStrongly Correlated Electrons

A self-similar ordered structure with a non-crystallographic point symmetry

Komajiro Niizeki、Nobuhisa Fujita2004-08-11arXiv

A new class of self-similar ordered structures with non-crystallographic point symmetries is presented. Each of these structures, named superquasicrystals, is given as a section of a higher-dimensional "crystal" with recursive superlattice structures. Such structures turn out to be limit-quasiperiodic, distinguishing…

Materials Science

Quasistationary states and coherent versus incoherent transitions for crossing diabatic potentials

V. A. Benderskii、E. V. Vetoshkin、E. I. Kats2004-08-11arXiv

We investigate coherent and incoherent tunneling phenomena in conditions of crossing diabatic potentials. We consider a model of two crossing parabolic diabatic potentials with an independent of coordinates constant adiabatic coupling. As a result of the coupling and level crossing avoiding, we get the asymmetric doub…

cond-mat.stat-mechMaterials Science

Pyrolytic Synthesis of Carbon Nanotubes on Ni, Co/MCM-41 Catalysts

K. V. Katok、V. A. Tertykh、A. N. Pavlenko 等 5 位作者2004-08-11arXiv

Process of vapor pyrolytic deposition of carbon on nickel and cobalt-containing ordered mesoporous MCM-41 matrices at decomposition of acetylene have been investigated. Formation of nanotubes, nanowires and amorphous carbon particles depending pyrolysis conditions is observed.

Materials Science

Silica Morphogenesis by Alternative Processing of Silaffins in the Diatom Thalassiosira pseudonana

Nicole Poulsen、Nils Kröger2004-08-11Journal of Biological Chemistry

For almost 200 years scientists have been fascinated by the ornate cell walls of the diatoms. These structures are made of amorphous silica, exhibiting species-specific, mostly porous patterns in the nano- to micrometer range. Recently, from the diatom Cylindrotheca fusiformis unusual phosphoproteins (termed silaffins…

Diatoms and Algae ResearchProtist diversity and phylogenyMarine and coastal ecosystems

Refractories Handbook

Charles A. Schacht2004-08-11OpenAlex

This comprehensive reference details the technical, chemical, and mechanical aspects of high-temperature refractory composite materials for step-by-step guidance on the selection of the most appropriate system for specific manufacturing processes. The book surveys a wide range of lining system geometries and material…

Material Properties and Applications

Role of Structural Factors in the Nonlinear Optical Properties of Phthalocyanines and Related Compounds

Gema de la Torre、Purificación Vázquez、F. Agulló‐López 等 4 位作者2004-08-11OpenAlex

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTRole of Structural Factors in the Nonlinear Optical Properties of Phthalocyanines and Related CompoundsGema de la Torre, Purificación Vázquez, F. Agulló-López, and Tomás TorresView Author Information Departamento de Química Orgánica (C-I) and Departamento de Física de Materi…

Photochemistry and Electron Transfer StudiesNonlinear Optical Materials StudiesPorphyrin and Phthalocyanine Chemistry

Diblock Copolymers Based on 1,4‐Dioxan‐2‐one and ε‐Caprolactone: Characterization and Thermal Properties

Jean‐Marie Raquez、Philippe Degée、Ramáni Narayan 等 4 位作者2004-08-10Macromolecular Chemistry and Physics

Abstract Summary: Various poly( ε ‐caprolactone‐ block ‐1,4‐dioxan‐2‐one) (P(CL‐ block ‐PDX)) block copolymers were prepared according to the living/controlled ring‐opening polymerization (ROP) of 1,4‐dioxan‐2‐one (PDX) as initiated by in situ generated ω ‐aluminium alkoxides poly( ε ‐caprolactone) (PCL) chains in tol…

Carbon dioxide utilization in catalysisPolymer composites and self-healingbiodegradable polymer synthesis and properties

Spin-polaron effective magnetic model forLa0.5Ca0.5MnO3

N. Konstantinidis、Charles H. Patterson2004-08-10Physical Review B

The conventional paradigm of charge order for ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}\mathrm{Mn}{\mathrm{O}}_{3}$ for $x=0.5$ has been challenged recently by a Zener polaron picture emerging from experiments and theoretical calculations. The effective low energy Hamiltonian for the magnetic degrees of freed…

Advanced Condensed Matter PhysicsPhysics of Superconductivity and MagnetismMagnetic and transport properties of perovskites and related materials

Tunable diffraction grating using ultraviolet-light-induced spatial phase modulation in dual-frequency liquid crystal

Pao Tai Lin、Xiao Liang、Hongwen Ren 等 4 位作者2004-08-10Applied Physics Letters

An electrically tunable diffraction phase grating using ultraviolet (UV)-light-induced spatial dielectric modulation of a dual-frequency liquid crystal (DFLC) cell is demonstrated. A photomask with transparent and opaque stripes was used for fabricating the grating. In the UV-exposed stripes, the negative dielectric a…

Liquid Crystal Research AdvancementsOrbital Angular Momentum in OpticsAdvanced Optical Imaging Technologies

Unusual Redox Catalysis in a Ruthenium Oxide–Prussian Blue Combined Material

Annamalai Senthil Kumar、Jyh‐Myng Zen2004-08-10ChemPhysChem

A stable high-valent RuVII: In pH<12 aqueous solutions, ruthenium tends to convert into lower oxidation states due to the disproportionation-decomposition reaction (DDR) shown. For the first time the novel stabilization of RuVII (as >RuVIIO) was identified in a ruthenium oxide–Prussian blue (RuOx–PB) analogue in an a…

Oxidative Organic Chemistry ReactionsPolyoxometalates: Synthesis and ApplicationsMesoporous Materials and Catalysis

Blackbody Infrared Radiative Dissociation of Partially Solvated Mixed Ligand Ru(II) Complex Ions

Stanley M. Stevens、Robert C. Dunbar、William D. Price 等 9 位作者2004-08-10The Journal of Physical Chemistry A

Unimolecular dissociation reactions of gas-phase partially solvated transition metal complex ions, diamminebis(2,2‘-bipyridine)ruthenium(II), [Ru(NH 3 ) 2 (bipy) 2 ] 2+, tetraammine(2,2‘-bipyridine)ruthenium(II), [Ru(NH 3 ) 4 bipy] 2+, and pentaammine(2-methylpyrazine)ruthenium(II), [Ru(NH 3 ) 5 MePyz] 3+, have been i…

Mass Spectrometry Techniques and ApplicationsPhotochemistry and Electron Transfer StudiesLanthanide and Transition Metal Complexes

Conformational evaluation and detailed 1H and 13C NMR assignments of eremophilanolides

Eleuterio Burgueño‐Tapia、Luis R. Hernández、Adriana Y. Reséndiz‐Villalobos 等 4 位作者2004-08-10Magnetic Resonance in Chemistry

Extensive application of 1D and 2D NMR methodology, combined with molecular modeling, allowed the complete 1H and 13C NMR assignments of eremophilanolides from Senecio toluccanus. Comparison of the experimental 1H, 1H coupling constant values with those generated employing a generalized Karplus-type relationship, usin…

Polymer Synthesis and CharacterizationAnalytical Chemistry and ChromatographyMolecular spectroscopy and chirality

Electrical and optical properties of Bi2Ti2O7 thin films prepared by metalorganic decomposition method

Yun Hou、Tie Lin、Zhiming Huang 等 8 位作者2004-08-10Applied Physics Letters

Highly (111) oriented Bi2Ti2O7 thin films have been grown on Pt∕Ti∕SiO2∕Si and Al2O3 substrates by metalorganic decomposition method at 550°C. The structural properties of the films were examined by x-ray diffraction. The Bi2Ti2O7 films exhibit good insulating property and the leakage current density of the film on Pt…

Ferroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisPhotorefractive and Nonlinear Optics

Kinetic pathways of sheared block copolymer systems derived from Minkowski functionals

G. J. A. Sevink、A. V. Zvelindovsky2004-08-10The Journal of Chemical Physics

We employ Minkowski functionals to analyze the kinetics of pattern formation under an applied external shear flow. The considered pattern formation model describes the dynamics of phase separating block copolymer systems. For our purpose, we have chosen two block copolymer systems (a melt and a solution) that exhibit…

Block Copolymer Self-AssemblyRheology and Fluid Dynamics StudiesFluid Dynamics and Thin Films

Cooperativity of theβ-relaxations in aromatic polymers

Alejandro Sanz、Aurora Nogales、Tiberio A. Ezquerra 等 5 位作者2004-08-10Physical Review E

The dielectric loss spectra of a series of copolyesters of poly(ethylene terephthalate) and poly(ethylene isophthalate) have been measured as a function of temperature in a broad frequency range (10(-1)-10(9) Hz). By these measurements, the merging of the two relevant relaxations alpha and beta has been studied. The b…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesMaterial Dynamics and Properties