Systematic review protocol registration
Systematic review protocol registration
Data comprises outputs from NMR calculations and geometry optimisations for various halogenated ten-vertex nido-5,6-dicarbaborane derivatives. Calculations were forformed using Gaussian09 and ADF.
Data from the paper \"Molecular Design Parameters of Anthraquinone Dyes for Guest-Host Liquid-Crystal Applications: Experimental and Computational Studies of Spectroscopy, Structure and Stability\"Mark Timothy Sims
The data provided relate to the paper "Molecular Design Parameters of Anthraquinone Dyes for Guest-Host Liquid-Crystal Applications: Experimental and Computational Studies of Spectroscopy, Structure and Stability" by Mark T. Sims, Laurence C. Abbott, Stephen J. Cowling, John W. Goodby and John N. Moore*, published in J. Phys. Chem. C.
Infilled global temperature reconstructions based on the HadCRUT4 temperature data from the UK Met Office and Climatic Research Unit
Data for the paper Creating a hyperpolarised pseudo singlet state through polarisation transfer from parahydrogen under SABRESimon B. Duckett
NMR data for the characterisation and long lived state measurements. Individual files as indexed in the excel record.
Coherent evolution of parahydrogen induced polarisation using laser pump, NMR probe spectroscopy: theoretical framework and experimental observationMeghan Eileen Halse, Robin Noel Perutz, Simon Duckett, Barbara Procacci & Sarah-Louise Henshaw
Atomic structure and electronic properties of MgO grain boundaries in tunnelling magnetoresistive devicesKeith Patrick McKenna & Jonathan Bean
Structures, input and output files for theoretical calculations on MgO grain boundaries.
Prebiotic Synthesis of Carbohydrates from Interstellar Building Blocks Promoted by Amino Esters or Amino NitrilesPaul Andrew Clarke
Data underpinning publication
Robust comparison of climate models with observations using blended land air and ocean sea surface temperaturesKevin Douglas Cowtan
Climate models are used to estimate future global warming, and can be checked against the global warming we have seen so far. Most comparisons suggest that the world is warming a little more slowly than the model projections. We show that this arises in part from the way the comparison is performed, because the methods used in constructing the historical temperature record are different from those used for the models. When we do a like-with-like...
Data pertinant to the PCCP paper "A Nematic to Nematic Transformation Exhibited by a Rod-Like Liquid Crystal", including NMR, DSC, FTIR, SAXS, Guassian input/output files.
Data in support of the paper: Re-engineering a NiFe hydrogenase to increase the H2 production bias while maintaining native levels of O2 toleranceAlison Parkin, Lindsey Anne Flanagan, James Moir, John J. Wright & Maxie M. Roessler
Raw data corresponding to each figure of "Re-engineering a NiFe hydrogenase to increase the H2 production bias while maintaining native levels of O2 tolerance" as described in the file Readme.docx Data produced by PhD student Lindsey Flanagan, who was funded by Wellcome Trust studentship "Investigating the role of oxygen tolerance in a [NiFe]-hydrogenase in bacterial competition" (part of the programme "Combating infectious diseases: computational approaches to translational science (CIDCATS)").
Data in support of Mn doped Bi2Te3
Dataset for \"Interplay between Molecular Pairing, Smectic Layer Spacing, Dielectric Anisotropy and Reentrant Phenomena in alkenyloxy Cyanobiphenyls \"Richard Mandle & John William Goodby
dataset for manuscript "Interplay between Molecular Pairing, Smectic Layer Spacing, Dielectric Anisotropy and Reentrant Phenomena in -Alkenyloxy Cyanobiphenyls "
Data supporting Cr(salophen) complex catalyzed cyclic carbonate synthesis at ambient temperature and pressureMichael North, José Antonio Castro Osma & Katie Joanna Lamb
GPC, ICPMS, IR, kinetic, MS, NMR, titration and XRF data corresponding to the results reported in the paper
The dataset contains EPR data for the spectroscopic investigation of the lytic polysaccharide monooxygenase belonging to the AA10 family from Bacillus licheniformis (BlAA10). The dataset comprises of continuous wave (cw) EPR experiments at both X and Q band frequencies and HYSCORE data. Data are uploaded as both raw data from the instrument and corresponding .asc/.txt files, when possible. Data embargoed until publication of associated research paper.
\"Back-to-Front\" Indole Synthesis using Silver(I) Catalysis: Unexpected C-3 Pyrrole Activation Mode Supported by DFTWilliam Paul Unsworth & Aimee Kate Clarke
Raw data for "Back-to-Front" Indole Synthesis using Silver(I) Catalysis: Unexpected C-3 Pyrrole Activation Mode Supported by DFT. Unprocessed raw NMR data (1H and 13C) and copies of IR spectra and mass spectrometry data.
Calculations and gas electron diffraction data related to the GED study of dimethylaminobenzonitrile prepared for publication.
This set of data includes all British feature films of 55 minutes or over that were released theatrically in the UK in the period from 1 January 1960 to 31 December 1969. The information includes principal cast, crew, production, financing, distribution, awards and reception. This database effectively provides a detailed map of the decade. The information was gathered from a variety of sources including: Denis Gifford’s British Film Catalogue Volume 1, Fiction Film 1895-1994 (London:...
Data supporting the publication \"Elucidating enzymatic polymerisations: chain-length selectivity of Candida antarctica lipase B towards various aliphatic diols and dicarboxylic acid diesters.\"Thomas James Farmer, James Hanley Clark, James William Comerford, Alessandro Pellis, Andrew James Maneffa & Mika Sipponen
Raw data for the above article. Contains files for DSC, TGA, NMR and Rheology analysis carried out during the study
Divergent Reactivity of Indole-Tethered Ynones with Silver(I) and Gold(I) Catalysts: A Combined Synthetic and Computational StudyWilliam Paul Unsworth
Divergent Reactivity of Indole-Tethered Ynones with Silver(I) and Gold(I) Catalysts: A Combined Synthetic and Computational Study. Raw NMR data, IR spetra and mass specra for the novel synthetic compounds made in the paper.
Protest event data on New Zealand environmental activism, drawn from main national and regional newspapers. Data cover the period 1/1/1997-31/12/2016. All events were identified and coded by T O'Brien. The dataset went through several iterations over the period of data collection and coding as fields, sources and years were added. Summary of field content also included.