Improved Spectral Calculations for Discrete Schrodinger Operators
This work was also published as a Rice University thesis/dissertation: http://hdl.handle.net/1911/72024
Materials Literature
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Computational Analysis of Carbon Nanotube Networks in Multifunctional Polymer Nanocomposites
Carbon nanotubes (CNTs) have attracted much attention as reinforcements in polymer composite materials because of their unique mechanical, electrical, and thermal properties. The high electrical conductivity of CNTs is especially promising for use in multifunctional materials. Dispersing a small amount of CNTs in elec…
Neue Perspektiven für Ultra-Hochleistungsbeton durch gezielte Beeinflussung des Nanogefüges
Zementgebundene Werkstoffe sind die mit Abstand am häufigsten eingesetzten Baustoffe. Die Forschung führt dabei immer mehr zur Entwicklung von Materialien mit optimierten Eigenschaften, sei es bei der mechanischen Leistungsfähigkeit, der Dauerhaftigkeit oder der Umweltverträglichkeit. Eine besondere Position nimmt hie…
Nanotribological and Nanomechanical Investigation of Nanomaterials
This dissertation primarily documents the quantification of the interfacial behavior of carbon based nanomaterials, which includes two categories, one is the nanofriction properties evaluation of aligned carbon nanotube carpets, few-layer graphene as well as three types of functionalized graphene nanoribbons, the seco…
Palladium(II) Bromide
[13444-94-5] PdBr2 (MW 266.23) InChI = 1S/2BrH.Pd/h2*1H;/q;;+2/p-2 InChIKey = INIOZDBICVTGEO-UHFFFAOYSA-L (used as an oxidizing agent; used as a Pd(II) catalyst; used as a source of Pd(0) precatalyst) Alternate Names: palladium bromide; palladium dibromide. Physical Data: mp 717 ± 2 °C1; X-ray structure.2 Solubility:…
Coinage Metal Nanoparticles on Hydrotalcite - Gold Nanoparticles on Hydrotalcite
Gold nanoparticles on hydrotalcite [7440-57-5] Au InChI = 1S/Au InChIKey = PCHJSUWPFVWCPO-UHFFFAOYSA-N [11097-59-9] CH24Al2Mg6O23 InChI = 1S/CH2O3.2Al.6Mg.20H2O/c2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;;;;20*1H2/q;2*+3;6*+2;;;;;;;;;;;;;;;;;;;;/p-18 InChIKey = PWZFXELTLAQOKC-UHFFFAOYSA-A (Reusable heteroge…
Desenvolvimento de método para caracterização de embalados de rejeitos radioativos
The characterization of the radioactive wastes generated in the operation of the nuclear research reactor IEA-R1 is currently ongoing.The IEA-R1 is an open pool type reactor, moderated and cooled by light water that uses two beds of ion-exchange resins and activated charcoal to remove impurities from the cooling water…
Tetrabutylammonium peroxydisulfate
(Tetrabutylammonium peroxydisulfate) [88505-29-7] C32H72N2O8S2 (MW 434.59) InChI = 1S/2C16H36N.H2O8S2/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2,3)7-8-10(4,5)6/h2*5-16H2,1-4H3;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2 InChIKey = WTEHZLSBCPFRHB-UHFFFAOYSA-L Alternate Names: (n-Bu4N)2S2O8; (TBA)2S2O8; bis(N,N,N-tributyl-1-b…
Hydrogen Peroxide
[7722-84-1] H2O2 (MW 34.02) InChI = 1S/H2O2/c1-2/h1-2H InChIKey = MHAJPDPJQMAIIY-UHFFFAOYSA-N (nucleophilic reagent capable of effecting substitution reactions2 and epoxidation of electron-deficient alkenes;3 weak electrophile whose activity is enhanced in combination with transition metal oxides4 and Lewis acids;5 st…
Design, Synthesis, and Monitoring of Light-Activated Motorized Nanomachines
Our group has developed a family of single molecules termed nanocars, which are aimed at performing controllable motion on surfaces. In this work, a series of light-activated motorized nanomachines incorporated with a MHz frequency light-activated unidirectional rotary motor were designed and synthesized. We hope the…
Modeling the influence of precursor volatility and molecular structure on secondary organic aerosol formation using evaporated fuel experiments
Abstract. We use SOA production data from an ensemble of evaporated fuels to test various SOA formation models. Except for gasoline, traditional SOA models focusing exclusively on volatile species in the fuels under-predict the observed SOA formation. These models can be improved dramatically by accounting for lower v…
Noyori Oxidation (Sodium Tungstate Dihydrate, Hydrogen Peroxide, Methyltri-n-octylammonium Hydrogen Sulfate, Phosphonic Acid)
(Sodium tungstate dihydrate)[10213-10-2] H4Na2O6W (MW 329.85) InChI = 1S/2Na.2H2O.4O.W/h;;2*1H2;;;;;/q2*+1;;;;;2*-1; InChIKey = WPZFLQRLSGVIAA-UHFFFAOYSA-N Hydrogen peroxide [7722-84-1] H2O2 (MW 34.01) InChI = 1S/H2O2/c1-2/h1-2H InChIKey = MHAJPDPJQMAIIY-UHFFFAOYSA-N (Methyltri-n-octylammonium Hydrogen Sulfate) [59158…
4-Acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium Tetrafluoroborate
[219543-09-6] C11H21N2O2F4B (MW 300.09) InChI = 1S/C11H20N2O2.BF4/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9;2-1(3,4)5/h9H,6-7H2,1-5H3;/q;-1/p+1 InChIKey = HTMHEICBCHCWAU-UHFFFAOYSA-O [219543-09-6] C11H21N2O2F4B (MW 300.09) InChI = 1S/C11H20N2O2.BF4/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9;2-1(3,4)5/h9H,6-7H2,1-5H3;/q;-1/p+…
Hydrocarbons
The article contains sections titled: 1. Saturated Hydrocarbons 1.1. Physical Properties 1.2. Chemical Properties 1.3. Production 1.3.1. From Natural Gas and Petroleum 1.3.2. From Coal and Coal-Derived Products 1.3.3. By Synthesis and by Conversion of other Hydrocarbons 1.4. Uses 1.5. Individual Saturated Hydrocarbons…
Correction to “A Sugar-Functionalized Amphiphilic Pillar[5]arene: Synthesis, Self-Assembly in Water, and Application in Bacterial Cell Agglutination”
ADVERTISEMENT RETURN TO ISSUEPREVAddition/CorrectionNEXTORIGINAL ARTICLEThis notice is a correctionCorrection to "A Sugar-Functionalized Amphiphilic Pillar[5]arene: Synthesis, Self-Assembly in Water, and Application in Bacterial Cell Agglutination"Guocan Yu, Yingjie Ma, Chengyou Han, Yong Yao, Guping Tang, Zhengwei Ma…
Phosphotungstic Acid Hydrate
Phosphotungstic acid [1343-93-7] H3PW12O40 (MW 2880.2) InChI = 1S/H3O4P.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; InChIKey = IYDGMDWEHDFVQI-UHFFFAOYSA-N Phosphotungstic Acid Hydrate [12501-23-4] H3PW12O40·24H2O (MW 3312.2) InChI = 1…
Tris(2-pyridylmethyl)amine
[16858-01-8] C18H18N4 (MW 290.36) InChI = 1S/C18H18N4/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18/h1-12H,13-15H2 InChIKey = VGUWFGWZSVLROP-UHFFFAOYSA-N (used as a tetradentate or tripodal ligand to make metal complexes active in CH and olefin oxidation and metal-catalyzed radical reactions inclu…
Piezoelectric Nanocomposites Properties Estimation by Finite-Element Discretization and Monte Carlo Simulation
This thesis presents a numerical model for determining piezoelectric and non-linear elastic properties of piezoelectric composites consisting of nanotubes in a polymer matrix. Finite Element Analysis (FEA), in conjunction with the Embedded Fiber Method (EFM), is used, and variable nanotube geometry, alignment, and wav…
Three-Dimensional Smoothed Particle Hydrodynamics Simulation for Liquid Droplet with Surface Tension
We provide a basic method of Smoothed Particle Hydrodynamics (SPH) to simulate liquid droplet with surface tension in three dimensions. Liquid droplet is a simple case for surface tension modeling. Surface tension works only on fluid surface. In SPH method, we simply apply the surface tension on the boundary particles…
Fluorescent Dyes and Pigments
The article contains sections titled: 1. Introduction 2. Naphthalimide Dyes 3. Coumarin Dyes 4. Xanthene Dyes 5. Thioxanthene and Benzoxanthene Dyes 6. Naphtholactam, Hydrazam Dyes and Homologues 7. Azlactone Dyes 8. Methine Dyes 9. Oxazine and Thiazine Dyes 10. Miscellaneous Fluorescent Dyes 11. UV Fluorescent Chromo…