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Gaussian Job Archive for C5H8Cl2O2

Henry S. Rzepa2015-01-01Figshare

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Solid-state spectroscopy and crystallographyMolecular spectroscopy and chiralityMolecular Spectroscopy and Structure

Gaussian Job Archive for C6H16O6

Henry S. Rzepa2015-01-01Figshare

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Solid-state spectroscopy and crystallographyNuclear Physics and ApplicationsAdvanced NMR Techniques and Applications

supporting information.zip

Ping Wang2015-01-01Figshare

File 1. Raw data of the EEM results File 2. Raw data of the HRTEM results File 3. Raw data of the FTIR results File 4. Raw data of the HRTEM-EDS results

Spectroscopy Techniques in Biomedical and Chemical ResearchAstronomy and Astrophysical ResearchElectron and X-Ray Spectroscopy Techniques

Bayesian Estimation of Density via Multiple Sequential Inversions of Two-Dimensional Images With Application to Electron Microscopy

Dalia Chakrabarty、Nare Gabrielyan、Fabio Rigat 等 5 位作者2015-01-01Figshare

We present a new Bayesian methodology to learn the unknown material density of a given sample by inverting its two-dimensional images that are taken with a scanning electron microscope. An image results from a sequence of projections of the convolution of the density function with the unknown microscopy correction fun…

Electron and X-Ray Spectroscopy Techniques

Determine the refractive index profile

Yanrong Wang2015-01-01Figshare

To find out the horizontal refractive index distribution and verify our theory, we repeated the experiment in Figure 3 of the main text. The He-Ne probe beam is weakly focused in to solution using a 250 mm lens to get a finer probe beam (diameter <0.5 mm). Thus the measured horizontal deflection can be more accurate.…

Optical Coatings and Gratings

#Ferguson1.1-1.5.xlsx

Joseph Bradshaw2015-01-01Figshare

Twitter data on #Ferguson. See Project Descritpion for details.

Material Dynamics and Properties

Influence of the R823W mutation on the interaction of the ANKS6- ANKS3: Insights from molecular dynamics simulation and free energy analysis

Wei Kan、Fengqin Fang、Lin Chen 等 5 位作者2015-01-01Figshare

The sterile alpha motif (SAM) domain of the protein ANKS6, a protein-protein interaction domain, is responsible for autosomal dominant polycystic kidney disease (ADPKD). Although the disease is the result of the R823W point mutation in the SAM domain of the protein ANKS6, the molecular details is still unclear. We app…

bioluminescence and chemiluminescence researchEnzyme Structure and FunctionProtein Kinase Regulation and GTPase Signaling

Discerning enhanced dislocation plasticity in hydrogen-charged α-iron nano-crystals

Malik Wagih、Yizhe Tang、Tarek M. Hatem 等 4 位作者2015-01-01Figshare

Novel atomistic simulations of α-iron nano-crystals starting with pre-existing dislocation networks have been performed to identify the effect of high hydrogen concentrations on enhanced dislocation plasticity. Hydrogen is shown to decrease the dislocations free-surface nucleation stress, as well as increase the flow…

Material Properties and Failure MechanismsHydrogen embrittlement and corrosion behaviors in metalsMicrostructure and mechanical properties

viscosity of Thiel embalming solutoin

Wouter Willaert2015-01-01Figshare

Calculation of the dynamic viscosity of Thiel embalming solution

Polysaccharides Composition and ApplicationsLiquid Crystal Research AdvancementsSurfactants and Colloidal Systems

Distribution of the number of bacteria cells adherent to diatom valve faces of different surface types (frustule or capsule) in xenic A. minutissimum biofilms.

Katrin Leinweber2015-01-01Figshare

Bacteria were counted in SEM images, if they were in direct, visible contact with the valve face of either a frustule (N = 54) or a completely encapsulated diatom cell (N = 71; see figures 2B and 3A for illustration). Samples were taken from 11 to 31 days old cultures. Boxes represent 1st and 3rd quartile. Black cente…

Protist diversity and phylogenyMicrobial Community Ecology and PhysiologyDiatoms and Algae Research

The raw data and the results of the particle metric analysis performed for the SEM images of the ΔpurH biofilm cells in K10T-1 with 0.2mM adenine at 6hrs.

Shiro Yoshioka、Peter D. Newell2015-01-01Figshare

The “SEM images” folder contains the original SEM images obtained for the analyses, and the selected particles are shown in several colors in the each image in the “Particle images” folder. The “particle.csv” is the excel file in which information on each particle is described. The “report.doc” file is the summary of…

Electron Spin Resonance StudiesLanthanide and Transition Metal ComplexesNanoplatforms for cancer theranostics

Synthesis, Crystal Structure, and Properties of Two 2D lamella Coordination Polymers Generated from Unsymmetrically Carboxylate Bridging Ligand

Xiao‐Ling Li、Guang‐Zhen Liu、Ling-Yun Xin 等 4 位作者2015-01-01Figshare

Self-assembly between simple unsymmetrical ligands, such as h2epda (5-ethyl-pyridine-2,3-dcarboxylic acid) and H2hmph(homophthalic acid) and two transition metals produce two new 2D lamella coordination polymers [Cu(hedpa)2]n1 and [Co(hmph)(bpe)]n2 (bpe = 1,2-di(4-pyridyl)ethylene), respectively. The 2D lamella struct…

Polyoxometalates: Synthesis and ApplicationsMetal-Organic Frameworks: Synthesis and ApplicationsX-ray Diffraction in Crystallography