Demonstration of Professional Preview of NMR Data files using MestreNova and Mpublish.

DOI: 10.14469/hpc/1053 Metadata

Created: 2016-07-22 07:27

Last modified: 2017-02-22 10:32

Author: Henry Rzepa

Co-author: Andrew McLean
Co-author: Charles ROMAIN
Co-author: Clare Bakewell
Co-author: Matthew Harvey

Demonstration of Professional Preview (ProView) of NMR Data files using MestreNova using a digitally signed file (.mnpub) for use with MestreNova 11, containing a temporary license file which unlocks the full functionality of the MestreNova 11+ program for the dataset specified only.

Files

FilenameSizeTypeDescription
A guide to setting up and uploading files to the Imperial HPC Data Repository.pdf 254KB application/pdf A guide to setting up and uploading files to the Imperial HPC Data Repository

Member of

DOIDescription
10.14469/hpc/1088 Data Repository Project

Members

DOIDescription
10.14469/hpc/1087 Diethyl Zinc NMR Spectra
10.14469/hpc/1095 Diethylzinc : Bruker NMR files
10.14469/hpc/1273 1H NMR Test

Associated DOIs

DOIDescription
10.1021/acs.joc.6b02008 Example: Article for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D
10.1021/jacs.5b13070 Example: Chemoselective Polymerizations from Mixtures of Epoxide, Lactone, Anhydride, and Carbon Dioxide
10.1021/jacs.6b08104 Example: addition of Carbon–Fluorine Bonds to a Mg(I)–Mg(I) bond: An Equivalent of Grignard Formation in Solution
10.1186/s13321-017-0190-6 M. J. Harvey, A. McLean, H. S. Rzepa, A metadata-driven approach to data repository design, J. Cheminformatics, 2017, 9:4.
10.14469/hpc/1267 Example: NMR data for Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation-Fragmentations: Computational Modelling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C and Marilzabicycloallene D
10.14469/hpc/1615 Mpublish. An ACS conference presentation by Santi Dominguez.
10.14469/hpc/1726 Example: NMR data for addition of Carbon–Fluorine Bonds to a Mg(I)–Mg(I) bond: An Equivalent of Grignard Formation in Solution
10.14469/hpc/1763 Documentation Toolkit – Project Mpublish
10.14469/hpc/1844 A presentation at the Open Data Circus 2016, Imperial College London.
10.14469/hpc/2152 Documentation: The Web-based Mpublish procedure for NMR Spectra
10.14469/hpc/272 Example: NMR data for polymerizations Using Lactone, Epoxide, and CO2

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