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密度泛函理论研究LiX(X=H,D,T)体系的热力学性质

雷洁红、邢丕峰、唐永建 等 4 位作者2010-09-03OpenAlex

运用量子力学从头计算方法,计算了氢化锂(氘化锂、氚化锂)分子的部分热力学函数和力学、光谱学性质。基于准简谐Debye模型,计算了固体Li的振动内能、振动和电子熵,探讨了Li吸收氢同位素气体生成一氢化物的反应熵变、生成焓变和生成Gibbs自由能及氢同位素的平衡离解压。结果显示:在Li吸收同位素气体生成一氢化物的反应中,生成焓变和反应熵变均为负值,且随温度升高,绝对值越大,Gibbs自由能则向正的方向增加。热力学上,在相同温度和压力下,氢置换一氢化物中的氘和氚、及氘置换氚的反应更易发生。

Thermal and Kinetic AnalysisInorganic Fluorides and Related CompoundsChemical Thermodynamics and Molecular Structure

Rapid screening of lectins for multivalency effects with a glycodendrimer microarray

Núria Parera Pera、Hilbert M. Branderhorst、Raymond Kooij 等 12 位作者2010-09-03Utrecht University Repository (Utrecht University)

Multivalency is an important phenomenon in protein-carbohydrate interactions. In order to evaluate glycodendrimers as multivalent inhibitors of carbohydrate binding proteins, we displayed them on a microarray surface. Valencies were varied from 1 to 8, and corrections were made for the valencies so that all surfaces c…

Dendrimers and Hyperbranched PolymersGlycosylation and Glycoproteins ResearchCarbohydrate Chemistry and Synthesis

Basic analysis fixing Metal-Organic Frameworks (MOF's) on nonwoven structures for essambly functional textiles

Angelika Kolonko2010-09-03LIBDOC - Westsächsische Hochschule Zwickau

In der vorliegenden Diplomarbeit wurden grundlegende Aspekte zur dreidimensionalen Fixierung von porösen Partikeln an klebstoffimprägnierten Vliesstoffen untersucht. Als Partikel dienten Kugelaktivkohlen sowie Kupfer-Benzoltricarboxylat-Trihydrat (Cu3(BTC)2

Supramolecular Self-Assembly in MaterialsDendrimers and Hyperbranched PolymersMetal-Organic Frameworks: Synthesis and Applications

Phosphoglycerate Mutase from Trypanosoma brucei: structure and reaction mecanism

Gustavo Fernando Mercaldi2010-09-03LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)

As doenças tropicais têm um grande impacto sobre a saúde em países de baixa renda, estando relacionadas com condições de pobreza e desigualdade. A tripanossomíase africana é uma infecção parasitaria negligenciada incluída na agenda da Organização Mundial de Saúde. Esta enfermidade é causada pelo Trypanosoma brucei gam…

Biochemical and Molecular ResearchEnzyme Structure and FunctionTrypanosoma species research and implications

Influence the formation of aggregates and gold nanoparticles on the microscopic properties of Rhodamine 6G

Uéslen Rocha Silva2010-09-03LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)

The aggregate effect in rhodamine dyes is a subject widely exploited in previous literatures. The majority of the references investigated this effect through the heat generation or simply analyzing the absorption spectra. A few works used the dependence of the fluorescence quantum efficiency (n) with the dye concentra…

Advanced Physical and Chemical Molecular InteractionsGold and Silver Nanoparticles Synthesis and ApplicationsPhotochemistry and Electron Transfer Studies

Gemology quartz of Bahia, geology, mineralogy, causes of color, and treatment

Monica Maria Jiménez Correa2010-09-03LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)

A Bahia tem sido, juntamente com Minas Gerais, Goiás e Rio Grande do Sul, destaque na produção de gemas naturais do Brasil, pais que detém grande parte das reservas mundiais desses bens minerais, com produção de gemas de qualidade reconhecidas internacionalmente. Os controles estatísticos registram a presença de mais…

Clay minerals and soil interactionsGeography and Environmental StudiesMineralogy and Gemology Studies

Endnotes

Rebecca Jones2010-09-03SPIE eBooks

This specially curated group of 178 titles covers subjects ranging from biodiversity conservation to agriculture and ecology to zoology. Books explore urban ecology, climate change, fire mitigation, and more. These titles are included in the CSIRO Publishing BioSelect Collection.

Earthquake and Disaster Impact StudiesEcology and biodiversity studiesMetallurgy and Material Science

Acknowledgements

Rebecca Jones2010-09-03SPIE eBooks

This specially curated group of 178 titles covers subjects ranging from biodiversity conservation to agriculture and ecology to zoology. Books explore urban ecology, climate change, fire mitigation, and more. These titles are included in the CSIRO Publishing BioSelect Collection.

Fire effects on ecosystemsEarthquake and Disaster Impact StudiesMetallurgy and Material Science

The distribution of rational numbers on Cantor's middle thirds set

Alexander D. Rahm、Noam Solomon、Tara Trauthwein 等 4 位作者2010-09-03HAL (Le Centre pour la Communication Scientifique Directe)

We give a heuristic argument predicting that the number N * (T) of ra-tionals p/q on Cantor's middle thirds set C such that gcd(p, q) = 1 and q ≤ T , has asymptotic growth O(T d+ε), for d = dim C. We also describe extensive numerical computations supporting this heuristic. Our heuristic predicts a similar asymptotic i…

Mathematical Dynamics and Fractalssemigroups and automata theoryQuasicrystal Structures and Properties

Magnetostatics, Currents, and Permeability

Luis Manuel Braga da Costa Campos2010-09-03OpenAlex

The magnetostatic field (Chapter 26) like the electrostatic field (Chapter 24) is specified by three related vectors, viz. the magnetic field, induction, and polarization (Section 26.1); there are differences in the constitutive properties relating them that are specified by the magnetic permeability and susceptibility (Sec…

Magnetic Properties and Applications

Examples 10.1 to 10.20

Luis Manuel Braga da Costa Campos2010-09-03OpenAlex

Example 10.1. Regions of the Complex Plane. Determine the region of the complex z-plane specified: (I) by |z−a| > |z− b| for real b > a; (II) by |z| ≥ a≥ |z+a| for real a, and find its angular points. Concerning (I) the meaning of |z−a|> |z− b| is that z is farther from a than from b, so it must lie (Figure 10.1a) to th…

Iron oxide chemistry and applicationsEngineering and Material Science ResearchSoil and Unsaturated Flow

Annual Transuranic Waste Inventory Report - 2009 (Rev. 0)

Waste Isolation Pilot Plant (WIPP), Carlsbad, NM (United States)、None None、USDOE Office of Environmental Management (EM) 等 4 位作者2010-09-03OpenAlex

This inventory report serves to update TRU waste inventory information last reported in the ATWIR-2008 (DOE 2008a). The information contained in the CID that supports this report is the best estimate of TRU waste inventory information as of December 31, 2008, and includes waste that is emplaced in the WIPP as reported…

Graphite, nuclear technology, radiation studiesNuclear and radioactivity studiesRadioactive element chemistry and processing

Focus: Cutting Ice with a Nanowire

Marcus Woo2010-09-03OpenAlex

Nanoscale simulations of a classic experiment show that it’s harder to cut through ice with the pressure of a water-repelling wire than with a water-attracting one.

Surface Modification and SuperhydrophobicityIcing and De-icing TechnologiesWinter Sports Injuries and Performance

Examples 30.1 to 30.20

Luis Manuel Braga da Costa Campos2010-09-03OpenAlex

Example 30.1. Convergence, Oscillation, and Divergence of Complex Series. Indicate the conditions of convergence (C.), oscillation (O.), and divergence (D.) of a real series; combine these for the real and imaginary parts of a complex series, and conclude on the convergence, oscillation, and divergence of the latter.…

Magneto-Optical Properties and ApplicationsIron oxide chemistry and applicationsEngineering and Material Science Research

Superconducting Magnetic Energy Storage Haute Température Critique comme Source Impulsionnelle

Arnaud Badel2010-09-03HAL (Le Centre pour la Communication Scientifique Directe)

A SMES (Superconducting Magnetic Energy Storage) stores energy in the magnetic flux density created by a short-circuited coil. This work studies SMES using High Temperature Superconductor for pulse power applications, and more specifically for Electromagnetic Launcher powering. Comparison with conventional powering us…

Frequency Control in Power SystemsHydrogen Storage and MaterialsSuperconducting Materials and Applications

NEW FUNCTIONALIZED POLYOXOMETALATES (POMs) FOR MOLECULAR MEMORY DEVICES COMPATIBLE WITH A CMOS PROCESSING

Nicoleta Joo2010-09-03HAL (Le Centre pour la Communication Scientifique Directe)

The aim of the present thesis is to study the miniaturization of non-volatile memory devices, FLASH type, by replacing the floating gate with monolayers of redox molecules, polyoxometalates. Towards this goal, I was engaged in a program aimed at constructing devices that use the properties of polyoxometalates (POMs) t…

Conducting polymers and applicationsAnalytical Chemistry and Sensors

Electronic Transport in Dual-gated Bilayer Graphene at Large Displacement Fields

Thiti Taychatanapat、Pablo Jarillo‐Herrero2010-09-03DSpace@MIT (Massachusetts Institute of Technology)

We study the electronic transport properties of dual-gated bilayer graphene devices. We focus on the regime of low temperatures and high electric displacement fields, where we observe a clear exponential dependence of the resistance as a function of displacement field and density, accompanied by a strong non-linear be…

Molecular Junctions and NanostructuresGraphene research and applicationsQuantum and electron transport phenomena

Free Magnetic Energy

Carmine Vittoria2010-09-03OpenAlex

In Chapters 2 and 3, we discussed the magnetism of isolated single atoms. Let’s now consider an aggregate of atoms to form a solid. Nature ‘‘prefers’’ to place atoms in a highly ordered manner to form solids. We will not enumerate all the possible ordered crystal structures solids can have. The most common crystal str…

Magnetic Properties of AlloysGeomagnetism and Paleomagnetism StudiesSolar and Space Plasma Dynamics

Introduction to Magnetism

Carmine Vittoria2010-09-03OpenAlex

One of the fundamental questions resolved in the early development of quantum mechanics was whether the electron motion was wavelike or particle-like. The answer was provided by De Broglie who showed that the particle linearmomentum, p, was related to an electromagnetic wavelength, l, as follows: l ¼ h p= , where h¼Pl…

Magnetic Properties of Alloys

Acetato(N-[(E)-1-(6-methyl-2-pyridyl)methylidene]-2-{2-[(E)-1-(6-methyl-2-pyridyl)methylideneamino]phenethyl}aniline)nickel(II) perchlorate

Shuranjan Sarkar、Hajin Lee、Hong‐In Lee2010-09-03Acta Crystallographica Section E Structure Reports Online

In the title complex, [Ni(CH(3)COO)(C(28)H(26)N(4))]ClO(4), the Ni(II) atom is coordinated by two imine N atoms and two pyridine N atoms of the N-[(E)-1-(6-methyl-2-pyrid-yl)methyl-idene]-2-(2-[(E)-1-(6-methyl-2-pyrid-yl)methyl-idene-amino]-pheneth-yl)aniline donor ligand and two O atoms of the acetate ion in a distor…

Crystal structures of chemical compoundsMagnetism in coordination complexesMetal complexes synthesis and properties