Imperial College London
Professor Henry S. Rzepa

Professor Henry S. Rzepa

Faculty of Natural Sciences, Department of Chemistry

Emeritus Professor of Computational Chemistry
 
 
 
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Contact

 

+44 (0)7514 623 653h.rzepa Website

 
 
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Location

 

501AMolecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Citation

BibTex format

@article{Hanson:2022:10.1515/pac-2021-2009,
author = {Hanson, RM and Jeannerat, D and Archibald, M and Bruno, IJ and Chalk, SJ and Davies, AN and Lancashire, RJ and Lang, J and Rzepa, HS},
doi = {10.1515/pac-2021-2009},
journal = {Pure and Applied Chemistry},
pages = {623--636},
title = {IUPAC specification for the FAIR management of spectroscopic data in chemistry (IUPAC FAIRSpec) - guiding principles},
url = {http://dx.doi.org/10.1515/pac-2021-2009},
volume = {94},
year = {2022}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - set of guiding principles for the development of a standard for FAIR management of spectroscopic data are outlined and discussed. The principles form the basis for future recommendations of IUPAC Project 2019-031-1-024 specifying a detailed data model and metadata schema for describing the contents of an “IUPAC FAIRData Collection” and the organization of digital objects within that collection. Foremost among the recommendations will be a specification for an “IUPAC FAIRData Finding Aid” that describes the collection in such a way as to optimize the findability, accessibility, interoperability, and reusability of its contents. Results of an analysis of data provided by an American Chemical Society Publications pilot study are discussed in relation to potential workflows that might be used in implementing the “IUPAC FAIRSpec” standard based on these principles.
AU  - Hanson,RM
AU  - Jeannerat,D
AU  - Archibald,M
AU  - Bruno,IJ
AU  - Chalk,SJ
AU  - Davies,AN
AU  - Lancashire,RJ
AU  - Lang,J
AU  - Rzepa,HS
DO  - 10.1515/pac-2021-2009
EP  - 636
PY  - 2022///
SN  - 0033-4545
SP  - 623
TI  - IUPAC specification for the FAIR management of spectroscopic data in chemistry (IUPAC FAIRSpec) - guiding principles
T2  - Pure and Applied Chemistry
UR  - http://dx.doi.org/10.1515/pac-2021-2009
UR  - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000784344900001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR  - https://www.degruyter.com/document/doi/10.1515/pac-2021-2009/html
UR  - http://hdl.handle.net/10044/1/97139
VL  - 94
ER  -
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