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Gaussian Job Archive for C2H14BLiO4

Henry S. Rzepa2015-01-01Figshare

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

Solid-state spectroscopy and crystallographyAtomic and Subatomic Physics ResearchAdvanced NMR Techniques and Applications

Protein orientation near a charged surface using PyGBe and protein G B1 D4

Christopher D. Cooper、Lorena A. Barba2015-01-01Figshare

This file bundle contains data, running script and final plot of the protein-orientation study for protein G B1 D4' near a charged surface. The running script invokes the bioelectrostatics solver (PyGBe) with the given input data, computes the orientation probability distribution and plots the final result. File set i…

Electron and X-Ray Spectroscopy TechniquesAdvanced biosensing and bioanalysis techniques

5C Test data

Michael Sauria2015-01-01Figshare

Mouse ESC 5C data produced with HindIII, chromosome X from GSE35721, a bed file containing probed RE fragments, and a shell script with commands for a complete 5C analysis from loading fragment read counts to producing a normalized heatmap using HiFive.

Graphite, nuclear technology, radiation studies

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; calculated charge density in the 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 Crystallograp…

Mineralogy and Gemology StudiesSolid-state spectroscopy and crystallographyCrystal Structures and Properties

Ecology Group 4 Wk3 Dataset 3

Michael Angelini2015-01-01Figshare

A transect was laid out at the woodlot at York university, Toronto Canada. The transect was laid from the outside edge of the woodlot to the center of the woodlot. Next a measurement of approximately 6 feet was assigned to find an innitial tree. From here the distance between it and the nearest adult tree (adult tree…

Nanoporous metals and alloys

Gaussian Job Archive for C50H80N4O9Zn2 - 104129

Charles Romain2015-01-01Figshare

JobID: 104129 Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Advanced MRI Techniques and ApplicationsAtomic and Subatomic Physics ResearchSolid-state spectroscopy and crystallography

Stoichiometric Control via Periods of Open-circuit During Electrodeposition

Maqsood Ali Mughal2015-01-01Figshare

Electrodeposition can enable stoichiometric control of deposited samples through variation of electroplating potential. We demonstrate an in-situ technique for deposit analysis and stoichiometric control by interspersing periods of open-circuit during deposition. Opening the circuit in an organic Cu-In-S plating bath…

Conducting polymers and applicationsElectrodeposition and Electroless CoatingsElectrochemical Analysis and Applications

PCCP - ordered growth of VOPc on FePC monolayer

Alexandra J. Ramadan、Luke A. Rochford、D.P. Woodruff 等 5 位作者2015-01-01Figshare

Full experimental data can be found in the corresponding manuscript. Here are all the raw data corresponding to the paper. STM images and LEED patterns of: ML FePc/Au (111) ML VOPc/ML FePc/ Au (111)

Copper-based nanomaterials 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

Date for plos one

Xin Du2015-01-01Figshare

Transcriptome Analysis of Thermal Parthenogenesis of the Domesticated Silkworm

Chromosomal and Genetic VariationsSilkworms and Sericulture ResearchSilk-based biomaterials and applications

L35AE

Anna Lomonosova2015-01-01Figshare

GuHCl-induced changes in position of tryptophan fluorescence spectrum maximum of L35Ae. Buffer contained PBS, 1500 mM NaCl, pH 7.0. Protein concentration was 3 µM.

Inorganic Fluorides and Related CompoundsIron-based superconductors researchRare-earth and actinide compounds