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Gaussian Job Archive for C7H5ClO2

Henry S. Rzepa2015-01-01Figshare

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

Molecular spectroscopy and chiralityMolecular Spectroscopy and StructureSolid-state spectroscopy and crystallography

AZ2.0

Binay Panda2015-01-01Figshare

Neem (Azadirachta indica A. Juss.), an evergreen tree of the Meliaceae family, is known for its medicinal, cosmetic, pesticidal and insecticidal properties. We had previously sequenced and published the draft genome of the plant, using mainly short read sequencing data. In this report, we present an improved genome as…

MXene and MAX Phase Materials

Introductory Lab

Dante Cosentino2015-01-01Figshare

Gender was observed and designated as either Male or Female (M/F). Shirt sleeve length defined as either Short Sleeved (SS) or Long Sleeved (LS). Restrictions: Sampling was conducted indoors, during summer months.Sleeve length was defined as the type of shirt worn, (tank tops and tee shirts for SS, sweaters, long slee…

Forensic Anthropology and Bioarchaeology StudiesFashion and Cultural TextilesTextile materials and evaluations

EM DQ8_004.PDB

Jurgen van Heemst2015-01-01Figshare

DQ8-DERAA complex. for more details: see note

3D IC and TSV technologiesCopper Interconnects and ReliabilityAdvanced Breast Cancer Therapies

Raw data from all qPCR runs

Elizabeth A. Jones2015-01-01Figshare

Raw data from qPCR on cells with either ctl or Notch1 siRNA that were sheared for 1h.

Statistical Methods in Clinical TrialsMachine Learning in Materials ScienceStatistical Methods and Inference

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

Gaussian Job Archive for C9H12AlLiO

Henry S. Rzepa2015-01-01Figshare

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

Solid-state spectroscopy and crystallographyAdvanced NMR Techniques and ApplicationsNuclear Physics and Applications

Improvement of the adhesion between polyaniline and commercial carbon paper by acid treatment and its application in supercapacitor electrodes

Young‐Ho Kim、Dong Joo Choi、Alberto Boscá 等 9 位作者2015-01-01Figshare

Commercial carbon paper was coated with polyaniline (PANI) using in situ polymerization of aniline. Prior to the PANI coating, acid treatment was performed to carboxylate the surface of the carbon paper for enhancing PANI adhesion by sonication of the carbon paper in a mixture of concentrated sulfuric and nitric acids…

Electrospun Nanofibers in Biomedical ApplicationsSupercapacitor Materials and FabricationConducting polymers and applications

2.3 Experimental

Philip Bulsink2015-01-01Figshare

Experimental files for compound 2.3.

Magnetic Properties and ApplicationsSilicon and Solar Cell Technologies

1,3-Dimethoxy-5-methylbenzene radical Geometry

Darren Rhodes2015-01-01Figshare

Radical after 6-31G(d,p) with Hessian in THF.

Photochemistry and Electron Transfer StudiesPhotochromic and Fluorescence ChemistryFree Radicals and Antioxidants

Design criteria for synthetic riboswitches acting on transcription

Manja Wachsmuth、Gesine Domin、Ronny Lorenz 等 7 位作者2015-01-01Figshare

Riboswitches are RNA-based regulators of gene expression composed of a ligand-sensing aptamer domain followed by an overlapping expression platform. The regulation occurs at either the level of transcription (by formation of terminator or antiterminator structures) or translation (by presentation or sequestering of th…

RNA and protein synthesis mechanismsCopper Interconnects and Reliability

Results of the FragFlow evaluation performed on the LONI Pipeline

Daniel Garijo2015-01-01Figshare

Results of the evaluation corresponding to the thesis: "Mining Abstractions in Scientific Workflows" by Daniel Garijo, Oscar Corcho (supervisor) and Yolanda Gil (supervisor). These results are a revision of the evaluations presented in the paper "FragFlow: Automated Fragment Detection in Scientific Workflows" by Garij…

Water Systems and OptimizationGeotechnical Engineering and Underground StructuresHigh voltage insulation and dielectric phenomena

Data for Figs. 3-6

Nicolas Dowdy2015-01-01Figshare

3-D data with acoustic behavior of bat-moth predator-prey interactions from nature

Rare-earth and actinide compoundsMagnetic Properties of AlloysMagnetic properties of thin films

Binding of a chromen-4-one Schiff’s base with bovine serum albumin: capping with β-cyclodextrin influences the binding

С. Чандрасекаран、N. Sudha、D. Premnath 等 4 位作者2015-01-01Figshare

This work deals with the synthesis of 6-methyl-3-[(4′-methylphenyl)imino]methyl-4H-chromen-4-one (MMPIMC), its binding to β-cyclodextrin, and the influence of the cyclodextrin complexation on the compound’s binding to bovine serum albumin (BSA). The 1:2 stoichiometry for the complexation of MMPIMC with β-cyclodextrin…

Nanoparticle-Based Drug DeliveryProtein Interaction Studies and Fluorescence Analysis

Low Temperature Reactive Sputtering of Thin Aluminum Nitride Films on Metallic Nanocomposites

Stéphane Evoy、Khaled Ramadan2015-01-01Figshare

This fileset contains all raw data and figures related to the article "Low Temperature Reactive Sputtering of Thin Aluminum Nitride Films on Metallic Nanocomposites", submitted by Ramadan and Evoy to PLOS ONE, in March 2015

GaN-based semiconductor devices and materialsAdvanced ceramic materials synthesisMetal and Thin Film Mechanics

Crystal structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 – 250 K using neutron time-of-flight Laue diffraction

A. Dominic Fortes、Dario Alfè、Eduardo Hernández 等 4 位作者2015-01-01Figshare

VASP output; relaxed zero-pressure athermal structure of MgSeO4.9H2O, from Fortes, A. D., D. Alfé, E. R. Hernàndez, & M. J. Gutmann (2015): Crystal structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 – 250 K using neutron time-of-flight Laue diffraction Acta Crystallographica B 71(3), in press (doi:10.11…

Crystal Structures and PropertiesSolid-state spectroscopy and crystallographyMineralogy and Gemology Studies

Assessment of the convergence of partially self-consistent BSE/GW calculations

Denis Jacquemin、Ivan Duchemin、Xavier Blase2015-01-01Figshare

The most applied ab initio method to determine the transition energies to electronically excited states, namely time-dependent density functional theory (TD-DFT), is now well mastered, but alternative approaches can be necessary to circumvent some of the specific limitations of TD-DFT. In that framework, the Bethe–Sal…

Magnetic Properties and ApplicationsHigh voltage insulation and dielectric phenomenaUltrasonics and Acoustic Wave Propagation

WK 2 Lab 1 - Gender vs Hair Colour

Ka Yan Chan2015-01-01Figshare

This experiment was conducted by myself with three other team members including Khaula, Houra and Alexandra from BIOL 2050 Ecology Lab 02 on September 15, 2015 at Lumber 118 of York University. The purpose of this research was to find the relationship between gender and hair colours. We observed our 20 relicates and s…

Educational Robotics and EngineeringTextile materials and evaluationsDyeing and Modifying Textile Fibers