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trans-Bis(ethylenediamine)bis{2-[N-(2-hydroxyethyl)oxamoylamino]benzoato}nickel(II)

Jun Yu2010-08-20Acta Crystallographica Section E Structure Reports Online

The title mononuclear Ni(II) complex, [Ni(C(11)H(11)N(2)O(5))(2)(C(2)H(8)N(2))(2)], is built up by inversion symmetry associated with the central Ni atom. The ethyl-enediamine ligands are non-planar. The r.m.s. deviation from the mean plane of the five-membered Ni-ethyl-amine chelate ring plane is 0.1945 Å. In the cry…

Metal complexes synthesis and propertiesCrystal structures of chemical compoundsMagnetism in coordination complexes

Modeling The Active Site Of [NiFe]-Hydrogenase

A.E. Mack2010-08-20Illinois Digital Environment for Access to Learning and Scholarship (University of Illinois at Urbana-Champaign)

The hydrogenases are metalloenzymes that act to catalytically interconvert dihydrogen with protons and electrons. Although there are three classes of hydrogenases that are known, the focus of this research will be on the first hydrogenase to be evolved, the [NiFe]-hydrogenase, which contains a heterobimetallic NiFe ac…

Hydrogen Storage and MaterialsCatalysis for Biomass ConversionMetalloenzymes and iron-sulfur proteins

Mobility and Saturation Velocity in Graphene on Silicon Dioxide

Vincent E. Dorgan2010-08-20Illinois Digital Environment for Access to Learning and Scholarship (University of Illinois at Urbana-Champaign)

Transport properties of exfoliated graphene samples on SiO2 are examined from four-probe electrical measurements combined with electrical and thermal modeling. Data are analyzed with practical models including gated carriers, thermal generation, ???puddle??? charge, and Joule heating. Graphene mobility is characterize…

Carbon Nanotubes in CompositesGraphene research and applicationsGraphene and Nanomaterials Applications

Poly[[tris(μ2-4,4′-bipyridineN,N′-dioxide)hexanitratodigadolinium(III)] dichloromethane disolvate]

A.J. Dillner、Cassandra P. Lilly、J.M. Knaust2010-08-20Acta Crystallographica Section E Structure Reports Online

The title one-dimensional coordination network, {[Gd(2)(NO(3))(6)(C(10)H(8)N(2)O(2))(3)]·2CH(2)Cl(2)}(n), is isostructural with the previously reported Tb and Tl coordination networks and to its Eu analog. The Gd(III) cation is coordinated in a distorted tricapped trigonal-prismatic fashion by nine O atoms from three…

Metal-Organic Frameworks: Synthesis and ApplicationsCrystal structures of chemical compoundsLanthanide and Transition Metal Complexes

Morphology, Linear and Nonlinear Optical Response of Octopolar Chromophores Embedded in a Silica Sonogel Matrix

V. Torres-Zúñiga、Omar G. Morales–Saavedra、Gunther Hennrich 等 5 位作者2010-08-20Molecular Crystals and Liquid Crystals

In this work, a liquid crystalline octopolar molecule 1,3,5-tris(ethynylphenyl)benzene-(1) was successfully embedded as dopant chromophore within a SiO2 based sonogel network in order to prepare stable solid state hybrid materials with intense second harmonic generation (SHG). This recently synthesized octopolar compo…

Nonlinear Optical Materials ResearchPhotochemistry and Electron Transfer StudiesSpectroscopy and Quantum Chemical Studies

The conjugate characteristic polynomial of some compound graphs

Mirko Lepović2010-08-20International Journal of Computer Mathematics

Let G be a simple graph of order n and let S be any subset of the vertex set V(G). We denote by G S, T the graph obtained from G by adding two new non-adjacent vertices x, y, so that x is adjacent exactly to the vertices from S, and y is adjacent exactly to the vertices from T, where T=V(G)∖S. We here determine the co…

Nonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsGraph theory and applications

Comment on “A Statistical−Mechanical Method To Evaluate Hydrogen Solubility in Metal”

G. Boureau2010-08-20The Journal of Physical Chemistry C

ADVERTISEMENT RETURN TO ISSUEPREVCommentNEXTComment on "A Statistical−Mechanical Method To Evaluate Hydrogen Solubility in Metal"Gérard Boureau†View Author Information Laboratoire de Chimie Physique - Matière et Rayonnement, Université Pierre et Marie Curie, 11, rue Pierre et Marie Curie, 75231 Paris Cedex 05, France†…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsMetallurgical Processes and Thermodynamics

Interaction of TiO2Films on Carbon Fibers with Toluene

Hyun-Ook Seo、Kwang-Dae Kim、Yuan Luo 等 6 位作者2010-08-20Bulletin of the Korean Chemical Society

$TiO_2$ thin films were synthesized on carbon fibers using chemical vapor deposition. We show that these films can exhibit extraordinarily high absorption capacities of toluene vapor. Such an absorption phenomenon of toluene at room temperature was not found for other $TiO_2$ samples. Upon toluene absorption change in…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesTransition Metal Oxide Nanomaterials

Thermal Stimulated Conductivity in Cellulose Triacetate-Multiwalled Carbon Nanotube Polymer Films

C. Basavaraja、Eun-Ae Jo、Bong‐Sung Kim 等 4 位作者2010-08-20Bulletin of the Korean Chemical Society

This paper describes the preparation and study of thermally stimulated discharge conductivity (TSDC) study of cellulose triacetate (CTA) - multiwalled carbon nanotubes (MWNTs) film thermoelectrets. TSDC has been carried out in the temperature range 308 - 503 K and at four different polarizing fields. The conductivity…

Organic Electronics and PhotovoltaicsCarbon Nanotubes in CompositesConducting polymers and applications

Effective model hierarchies for dynamic and static classical density functional theories

S. Majaniemi、N. Provatas、Makiko Nonomura2010-08-20Journal of Physics Condensed Matter

The origin and methodology of deriving effective model hierarchies are presented with applications to solidification of crystalline solids. In particular, it is discussed how the form of the equations of motion and the effective parameters on larger scales can be obtained from the more microscopic models. It will be s…

Material Dynamics and PropertiesSolidification and crystal growth phenomenananoparticles nucleation surface interactions

Basis Set Superposition Error on Structures and Complexation Energies of Organo-Alkali Metal Iodides

Chang Kon Kim、Hui Zhang、Sung Hoon Yoon 等 5 位作者2010-08-20Bulletin of the Korean Chemical Society

Theoretical studies have been performed to study the binding characteristics of the alkali metal iodides, M-I (M = Li, Na, K), to poly(ethylene oxide) (PEO, I), poly(ethylene amine) (PEA, II) and poly(ethylene N-methylamine) (PEMA, III) via the B3LYP method. In this study, two types of complexes, singly-coordinated sy…

Advanced Battery Materials and TechnologiesConducting polymers and applicationsThermal and Kinetic Analysis

Low flux radiative ignition studies of ammonium perchlorate composite propellants

Matt J. Polo2010-08-20Illinois Digital Environment for Access to Learning and Scholarship (University of Illinois at Urbana-Champaign)

The vast majority of propellant ignition data has been collected and studied for heat fluxes in the typical, intentional ignition range. However, when a propellant contained within a rocket motor case is exposed to low fluxes in hazardous situations, such as close proximity to a fire, unwanted ignition can also occur.…

Energetic Materials and CombustionThermal and Kinetic AnalysisRocket and propulsion systems research

Neural network to develop sizing systems for production and logistics via technology innovation in Taiwan

Chih-Hung Hsu、Cheng-Yueh Tsai、Tzu-Yuan Lee2010-08-20OpenAlex

Human body type classifications are very crucial issue, play an even important role for physiology, medical treatment, sports talent and garment production and logistics. The extraction of knowledge from large database has been successfully applied in a number of advanced fields by data mining. However, little researc…

Data Mining Algorithms and ApplicationsTextile materials and evaluationsIndustrial Vision Systems and Defect Detection

Poly[[tris(μ2-4,4′-bipyridineN,N′-dioxide)hexanitratodieuropium(III)] dichloromethane disolvate]

A.J. Dillner、Cassandra P. Lilly、J.M. Knaust2010-08-20Acta Crystallographica Section E Structure Reports Online

The title one-dimensional coordination network, {[Eu(2)(NO(3))(6)(C(10)H(8)N(2)O(2))(3)]·2CH(2)Cl(2)}(n), is isostructural with the previously reported Tb and Tl coordination networks and to its Gd analog. The Eu(III) cation is coordinated in a distorted tricapped trigonal-prismatic fashion by nine O atoms from three…

Metal-Organic Frameworks: Synthesis and ApplicationsCrystal structures of chemical compoundsLanthanide and Transition Metal Complexes

Tunable-Focus Liquid Crystal Lens with Non-Planar Electrodes

Svitlana Subota、Victor Reshetnyak、Hongwen Ren 等 4 位作者2010-08-20Molecular Crystals and Liquid Crystals

We study a tunable-focus lens with convex and flat electrodes in a homogeneous liquid crystal (LC) cell. In a voltage-on state, a centro-symmetric gradient refractive index is generated within the LC layer, which causes the focusing behavior for the extraordinary wave. There have been experimental studies of the syste…

Photonic and Optical DevicesLiquid Crystal Research AdvancementsElectrowetting and Microfluidic Technologies

Synthesis Characterization, X‐ray Structures, and Solution Studies of Dinuclear Zinc(II) Complexes of Acyclic Schiff Base Ligands

Seyed Abolfazl Hosseini‐Yazdi、Ali Akbar Khandar、Mir Kh. Tabatabai 等 4 位作者2010-08-20Zeitschrift für anorganische und allgemeine Chemie

Abstract Dizinc(II) complexes of two acyclic Schiff‐base ligands L1– and L2– were synthesized by Schiff base condensation of 2‐[3‐(2‐formylphenoxy)‐2‐hydroxypropoxy]benzaldehyde (PL) with 1,2‐diaminopropane and 1,2‐diaminoethane, respectively, in the presence of zinc(II) salts. The isolation of a selection of 2:1 (met…

Metal complexes synthesis and propertiesCrystal structures of chemical compoundsLanthanide and Transition Metal Complexes

Friction between Two Brownian Particles in a Lennard-Jones Solvent: A Molecular Dynamics Simulation Study

Song-Hi Lee2010-08-20Bulletin of the Korean Chemical Society

Molecular theory of Brownian motion of a single heavy particle in a fluid had received a considerable attention in earlier years.[1][2][3][4][5][6][7] After molecular dynamics (MD) simulation technique was utilized, this subject has been widely studied by a variety of MD simulation methods.[8][9][10][11][12][13][14][1…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesAdvanced Thermodynamics and Statistical Mechanics

PALYGORSKITE FORMATION UNDER THE INFLUENCE OF GROUNDWATER IN CENTRAL IRANIAN SOILS

Saeid Hojati、Hossein Khademi、Ángel Faz Cano2010-08-20DergiPark (Istanbul University)

Palygorskite is a dominant clay mineral in most soils and sediments in central Iran. Few studies investigated the formation of palygorskite under the influence of groundwater in central Iran. This study aims to identify the effects of groundwater on the formation of palygorskite and associated clay minerals. Four soil…

Soil and Unsaturated FlowClay minerals and soil interactionsTherapeutic Uses of Natural Elements