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Gaussian Job Archive for C40H42N6O6Zn2 109088

Charles Romain2015-01-01Figshare

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

Organometallic Complex Synthesis and CatalysisInorganic and Organometallic ChemistryMagnetism in coordination complexes

Gaussian Job Archive for C6H20O8

Henry S. Rzepa2015-01-01Figshare

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

Advanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallographyNuclear Physics and Applications

Gaussian Job Archive for C42H46N6O6

Henry S. Rzepa2015-01-01Figshare

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

bioluminescence and chemiluminescence researchPhotochromic and Fluorescence Chemistry

Additional file 2: of Identification of potential mutations and genomic alterations in the epithelial and spindle cell components of biphasic synovial sarcomas using a human exome SNP chip

Yan Qi、Ning Wang、Lijuan Pang 等 11 位作者2015-01-01Figshare

Enrichment analysis of the Pathway Commons Pathway of differentiated genes. (HTML 20Â kb)

Silk-based biomaterials and applicationsSarcoma Diagnosis and TreatmentProtein Degradation and Inhibitors

Figure 3 5 6 and 7

Kirstine Calløe2015-01-01Figshare

Molecular cloning and functional expression of the equine K+ channel KV11.1 (ether à go-go-related/KCNH2 gene) and the regulatory subunit KCNE2 from equine myocardium

Energy, Environment, Agriculture AnalysisEngineering and Material Science ResearchEarthquake and Tsunami Effects

ts-6b6-27c.study

Pär Nyström、Gustaf Gredebäck、Terje Falck‐Ytter2015-01-01Figshare

This is the case study workflow for TimeStudio v2.8

Solid-state spectroscopy and crystallographySuperconducting Materials and Applications

Data & materials for Banica & Schwarzkopf (Unpublished)

Data From SamPenDu2015-01-01Figshare

Code and data from Banica & Schwarzkopf (currently unpublished) "Induction of illusory contours requires awareness"

Optical Polarization and EllipsometryOptical and Acousto-Optic TechnologiesQuasicrystal Structures and Properties

12q H2AK119u1

Carolyn J. Brown2015-01-01Figshare

Red is RNA FISH using a probe against XIST RNA. Green is an anti-H2AK119u1 antibody. Blue is DAPI. These images were used to calculate data shown in Table 2.

Magnetism in coordination complexesMetal complexes synthesis and propertiesCrystal structures of chemical compounds

Supporting info for DOI:10.1002/ejoc.201300337 (DFT-D3 dispersion corrections)

Pedro Silva2015-01-01Figshare

Inputs and outputs for the computation of dispersion effects on the intermediates involved in BBr3-catalyzed ether cleavage

Chemical Reactions and IsotopesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Additional file 2: of PubChem structure–activity relationship (SAR) clusters

Sunghwan Kim、Lianyi Han、Bo Yu 等 6 位作者2015-01-01Figshare

(example2_gi_29337198.txt): contains the results of PubChem SAR clustering (Clusters 28–56) for GI 29337198 (AhR agonists).

Lanthanide and Transition Metal Complexes

MOESM3 of High-quality and universal empirical atomic charges for chemoinformatics applications

Stanislav Geidl、Tomáš Bouchal、Tomáš Raček 等 8 位作者2015-01-01Figshare

Additional file 3: Table S2a. A list of molecules from the test set including their DrugBank IDs and summary formulas.

X-ray Diffraction in CrystallographyMachine Learning in Materials ScienceGeochemistry and Geologic Mapping

‘The eCrystals Federation’ Management and Publication of Small Molecule Structure Data for the Whole Crystallographic Community

Simon J. Coles、Jeremy G. Frey、Michael B. Hursthouse 等 8 位作者2015-01-01Figshare

Thirty years ago a research student would present about five crystal structures as their PhD thesis, however with modern technologies and good crystals this can now be achieved in the timespan of a single morning. This increase in pace of generation further exacerbates a problem in the communication of the results. Ad…

X-ray Diffraction in CrystallographyEnzyme Structure and FunctionCrystallization and Solubility Studies

Gaussian Job Archive for C50H80N4O9Zn2 - 104133

Charles Romain2015-01-01Figshare

JobID: 104133 Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Atomic and Subatomic Physics ResearchSolid-state spectroscopy and crystallographyAdvanced MRI Techniques and Applications

Supporting info for DOI:10.1002/ejoc.201300337 (DFT-D3 dispersion corrections)

Pedro Silva2015-01-01Figshare

Inputs and outputs for the computation of dispersion effects on the intermediates involved in BBr3-catalyzed ether cleavage

Catalysis and Oxidation ReactionsChemical Reactions and IsotopesCatalytic Processes in Materials Science

Study of Fire Retardancy and Thermal and Mechanical Properties of HDPE-Wood Composites

Ljerka Kratofil Krehula、Zvonimir Katančić、Gojko Marić 等 4 位作者2015-01-01Figshare

This article reports a study of flame retardancy and thermal and mechanical properties of wood-plastic composites (WPCs) based on high-density polyethylene and pine flour. The study shows that sample composition plays an important role in WPCs' properties. The influence of additives like fillers (SiO2 or CaCO3) and fl…

Flame retardant materials and propertiesFiber-reinforced polymer compositesNatural Fiber Reinforced Composites

2.8 Experimental

Philip Bulsink2015-01-01Figshare

Experimental files for compound 2.8.

Magnetic Properties and Applications

Gaussian Job Archive for C42H46N6O6

Henry S. Rzepa2015-01-01Figshare

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

bioluminescence and chemiluminescence researchPhotochromic and Fluorescence Chemistry

Xq H4K20me1 #1

Carolyn J. Brown2015-01-01Figshare

Green is RNA FISH using a probe against XIST RNA. Red is an anti-H4K20me1 antibody. Blue is DAPI. These images were used to calculate data shown in Table 2.

Magnetism in coordination complexesInorganic Chemistry and MaterialsCrystal structures of chemical compounds

Additional file 1: of The origin of Î˛-strand bending in globular proteins

Kazuo Fujiwara、Shinichi Ebisawa、Yuka Watanabe 等 5 位作者2015-01-01Figshare

List of PDB codes. The file contains a list of all the PDB codes and protein names used in our study. (TXT 139 kb)

Enzyme Structure and FunctionHemoglobin structure and functionEnzyme Production and Characterization

Temperature dependence of NDR effect

Ben Warner2015-01-01Figshare

Temperature dependence of NDR effect, this is a trial run looking at meeting the open data requirements

Solid-state spectroscopy and crystallographyAtomic and Subatomic Physics ResearchNuclear Physics and Applications