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Ionic to molecular transition in AlCl3: an examination of the electronic structure

Leonardo Bernasconi、Paul A. Madden、Mark Wilson2002-01-01PhysChemComm

AlCl 3 crystallizes as an ionic solid but melts to form a molecular liquid consisting of Al 2 Cl 6 units. In order to see if this transition involves a major change in electronic structure, the dimer and crystal of AlCl 3 are examined with the aid of generalized gradient corrected density functional theory (GGC-DFT) c…

Boron and Carbon Nanomaterials Research

Synthesis of New Hydrides in Mg-Y Systems by Using High Pressure

Yasuyuki Goto、Atsunori Kamegawa、Hitoshi Takamura 等 4 位作者2002-01-01MATERIALS TRANSACTIONS

A new hydride in the MgH2–YH3 system was found by using a high pressure of 5 GPa, and their crystal structure, thermal stability and hydrogen content were studied. The high-pressure synthesis was carried out at 1073 K for 2 h under 5 GPa by using an anvil-type apparatus. In the MgH2–xat%YH3 system (x=33–100), novel hy…

Advanced Chemical Physics StudiesHydrogen Storage and MaterialsNuclear Materials and Properties

Analytical derivatives, π bonding and d–s mixing in the ligand field molecular mechanics method

Robert J. Deeth、D. L. Foulis2002-01-01Physical Chemistry Chemical Physics

Expressions are presented for the analytical energy derivatives of the ligand field stabilisation energy (LFSE) within the angular overlap model formalism. In addition to the σ-bonding contributions already incorporated in the ligand field molecular mechanics (LFMM) code, explicit contributions from π-bonding and d–s…

Magnetism in coordination complexesPhotochemistry and Electron Transfer StudiesLanthanide and Transition Metal Complexes

Effect of Fiber Properties on Neutron Irradiated SiC/SiC Composites

Tatsuya Hinoki、Yutai Katoh、Akira Kohyama2002-01-01MATERIALS TRANSACTIONS

The use of SiC/SiC composites for nuclear application has recently been considered because of intrinsic low activation and superior high temperature mechanical properties of SiC. The property of SiC fiber is a key issue in order to improve mechanical properties of SiC/SiC composites following irradiation. SiC/SiC comp…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdvanced materials and composites

An All-Solid-State Electrochemical Supercapacitor Based on Poly3-(4-fluorophenylthiophene) Composite Electrodes

Jung Yong Kim、In Jae Chung2002-01-01Journal of The Electrochemical Society

Poly3-(4-fluorophenylthiophene), which can be both n- and p-doped, has been chemically synthesized by using as an oxidant and is used as an electrode-active material in composite electrodes. To fabricate an all-solid-state electrochemical capacitor, a liquid electrolyte solution was replaced by a gel polymer electroly…

Supercapacitor Materials and FabricationAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Phase transition and magnetic anisotropy of (La,Sr)MnO3 thin films

Zhihong Wang、H. Kronmüller、O. I. Lebedev 等 7 位作者2002-01-01Physical review. B, Condensed matter

The magnetic properties and their correlation with the microstructure and electrical transport are investigated in ${\mathrm{La}}_{0.88}{\mathrm{Sr}}_{0.1}{\mathrm{MnO}}_{3}$ films grown on $(100){\mathrm{SrTiO}}_{3}$ single crystal substrates with thickness ranging from 100 to 2500 \AA{}. The ultrathin film $(t=100 \…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Laser surface alloying of an Mg alloy with Al + Mn to improve corrosion resistance

Jyotsna Dutta Majumdar、Thorsten Maiwald、R. Galun 等 5 位作者2002-01-01Lasers in Engineering

In the present study, an attempt has been made to enhance the corrosion resistance of a Mg alloy (MEZ) by laser surface alloying with Al + Mn. Laser surface alloying has been carried out with a 10 kW continuous wave CO 2 laser by melting and simultaneous feeding of a powder mixture of Al and Mn in the ratio of 3 : 1 a…

Magnesium Alloys: Properties and ApplicationsHigh-Temperature Coating BehaviorsHigh Entropy Alloys Studies

Synthesis, Structure and Magnetic Susceptibility of two 5-Nitro-2-Aminopyridinium Cuprates: (5-NAP) 2 CuCl 4 and the Quantum Magnetic Ladder (5-NAP) 2 CuBr 4 ·H 2 O

Mark M. Turnbull、Călin Galeriu、J. Giantsidis 等 4 位作者2002-01-01Molecular Crystals and Liquid Crystals

The synthesis, x-ray crystal structures and magnetic susceptibilities for two tetrahalocuprate salts are reported. Bis(2-amino-5-nitropyridinium) tetrabromocuprate monohydrate [(5-NAP) 2 CuBr 4 ·H 2 O], 1 is triclinic, P-1. The tetrabromocuprate ions pack to form quasi-Heisenberg, S=½ quantum antiferromagnetic ladders…

Crystal structures of chemical compoundsMagnetism in coordination complexesMolecular spectroscopy and chirality

Effects of Undersaturation on Crystal Size Distribution in Cooling Type Batch Crystallization.

Hiroshi Takiyama、Kayo Shindo、Masakuni Matsuoka2002-01-01JOURNAL OF CHEMICAL ENGINEERING OF JAPAN

In the cooling type batch crystallization, the influence of undersaturation operation on crystal size distribution was investigated, and the effectiveness of this operation was discussed. In batch crystallization with seeding, it was clear that undersaturation operations in the early stages of the cooling operation wa…

Crystallization and Solubility StudiesFreezing and Crystallization Processes

Preferential enrichment: Full crystallographic analysis of the unusual phenomenon in the mixed crystals' version

Hiroki Takahashi、Rui Tamura、Daisuke Fujimoto 等 6 位作者2002-01-01Chirality

Full characterization of the crystal structures of the racemate, nonracemate (20% ee), and pure enantiomer of [2-[4-(3-ethoxy-2-hydroxypropoxy)phenylcarbamoyl]ethyl]trimethylammonium p-bromobenzenesulfonate (NBMe3), which has successfully shown an unusual enantiomeric resolution phenomenon, "preferential enrichment,"…

Crystallography and molecular interactionsCrystallization and Solubility StudiesX-ray Diffraction in Crystallography

Hydriding-Dehydriding Properties of Mg-Rich Mg-Ni-Nd Alloys with Refined Microstructures

Jingtian Yin、Kazuhide Tanaka2002-01-01MATERIALS TRANSACTIONS

The hydriding/dehydriding characteristics, pressure-composition isotherms and X-ray diffractographs of Mg-rich Mg–Ni–Nd alloys fabricated by different solidifying processes (mold-casting, water-quenching, or melt-spinning) are compared and discussed in relation with their microstructures observed by SEM . Among them,…

Hydrogen Storage and MaterialsHybrid Renewable Energy SystemsAmmonia Synthesis and Nitrogen Reduction

Dual-mode recognition of oxalate by protonated azacryptate hosts; conformational response of the guest maximizes π-stacking interactions

Jane Nelson、M. Nieuwenhuyzen、Ibolya Pál 等 4 位作者2002-01-01Chemical Communications

Exceptionally large complexation constants for oxalate encapsulated within azacryptand hosts are partly explained by pi-stacking interactions between C=O and aromatic rings.

Crystallography and molecular interactionsNonlinear Optical Materials ResearchPhotochemistry and Electron Transfer Studies

Ageing Kinetics of Cellulose and Paper

Andrzej Barański2002-01-01Restaurator International Journal for the Preservation of Library and Archival Material

SUMMARIES A view on the kinetics of cellulose ageing is given, oriented particularly on the problem of stability and the degradation of paper, for which cellulose can be considered as a model compound. Reservations concerning the conditions of cellulose degradation are exposed, e.g. that the research efforts are focus…

Advanced Cellulose Research StudiesMaterial Properties and Processing

Magnetoelectricity of Multiferroic Composites

C.-W. Nan、Yuanhua Lin、Jin H. Huang2002-01-01Ferroelectrics

Differently from magnetoelectric (ME) crystal families (e.g., Cr 2 O 3 and phosphates) to which the ME effect is intrinsic, multiferroic composites such as ferrite/piezoelectric ceramic composites exhibit extrinsic ME effect which is known as a "product property" resulted from the interaction between the ferrite and p…

Electromagnetic Scattering and AnalysisMultiferroics and related materialsComposite Material Mechanics

Design and evaluation of dual inlet ICP torch for low gas consumption

Hironobu Yabuta、Hidekazu Miyahara、Masato Watanabe 等 5 位作者2002-01-01Journal of Analytical Atomic Spectrometry

In this study, we concentrated on improving the vortex flow uniformity, which was considered as a key factor for our new ICP torch design. To obtain a uniform vortex flow with lower plasma gas consumption, our new ICP torch had a dual gas inlet, and convertibility for helium and argon ICP. With this modification, heli…

Metal and Thin Film MechanicsHigh voltage insulation and dielectric phenomenaPlasma Diagnostics and Applications

Flax Fiber: Potential for a New Crop in the Southeast

Jonn A. Foulk、Danny E. Akin、Roy B. Dodd 等 4 位作者2002-01-01OpenAlex

Flax (Linum usitatissimum L., Linaceae), which has been grown throughout the world for millennia, is the source of products for existing, high-value markets in the textile, composites, paper/pulp, and industrial/ nutritional oil sectors (Hamilton 1986; Sharma and Van Sumere 1992b). Flax is the source of industrial fib…

Food composition and propertiesNatural Fiber Reinforced CompositesVaried Academic Research Topics

Variability of In-Reactor Diametral Deformation for Zr-2.5Nb Pressure Tubing

M. Griffiths、WG Davies、A.R. Causey 等 6 位作者2002-01-01OpenAlex

The diametral expansion of pressure tubes in CANDU™ reactors due to irradiation creep and growth is an important property that may limit the useful life of the tubes. Measurements accumulated over many years have shown that there is considerable variability in diametral strain rates between tubes. There is also consid…

Fusion materials and technologiesNuclear Materials and PropertiesTitanium Alloys Microstructure and Properties

A p-tert-butylcalix[6]arene bearing phosphinoyl pendant arms for the complexation and sensitisation of lanthanide ions

Flor de Marı́a Ramı́rez、S. Varbanov、Corine Cécile 等 7 位作者2002-01-01Journal of the Chemical Society Dalton Transactions

The new lower rim functionalised macrocycle 5,11,17,23,29,35-hexa-tert-butyl-37,38,39,40,41,42-hexakis(dimethylphosphinoylmethoxy)calix[6]arene (B6bL6) has been synthesised. Temperature dependent 1H and 31P NMR studies indicate a mixture of conformers with a time-averaged C6v symmetry at 405 K in dmso-d6; ΔG≠ values f…

Supramolecular Chemistry and ComplexesRadioactive element chemistry and processingLanthanide and Transition Metal Complexes

Reconsideration of Drug Release from Temperature-Sensitive Liposomes.

Atsuo Ono、Kentaro Takeuchi、Akemi Sukenari 等 6 位作者2002-01-01Biological and Pharmaceutical Bulletin

The liposomal phase transition temperature was monitored in unstirred suspensions using a differential scanning calorimeter. The main and pre-transition temperatures under conditions of stirring were measured by the change in 90 degrees light scattering using a fluorescence spectrophotometer. Both methods show the sam…

Nanoparticle-Based Drug DeliveryMonoclonal and Polyclonal Antibodies ResearchProtein purification and stability

Low-Pressure Hydrogen Plasma: an Assessment of its Application On Archaeological Iron

Katharina Schmidt-Ott、Valentin Boissonnas2002-01-01Studies in Conservation

Low-pressure hydrogen gas plasma reduction has been used at the Swiss National Museum in metals conservation since 1990. After a critical re-evaluation of the method in 1994, major changes were introduced. Today, it has become an integral part of the conservation procedures for archaeological iron. Its major advantage…

Corrosion Behavior and InhibitionCultural Heritage Materials AnalysisConservation Techniques and Studies