Výsledky vyhledávání - "Agustin Barba"

Akademický článek

Workflows Allowing Creation of Journal Article Supporting Information and Findable, Accessible, Interoperable, and Reusable (FAIR)-Enabled Publication of Spectroscopic Data

Autor: Agustin Barba, Santiago Dominguez, Carlos Cobas, David P. Martinsen, Charles Romain, Henry S. Rzepa, Felipe Seoane

Publikováno v: ACS Omega, Vol 4, Iss 2, Pp 3280-3286 (2019)

Externí odkaz: https://doaj.org/article/0561c549f82640818214f1f9ae659f24

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Direct deduction of chemical class from NMR spectra

Autor: Stefan Kuhn, Carlos Cobas, Agustin Barba, Simon Colreavy-Donnelly, Fabio Caraffini, Ricardo Moreira Borges

This paper presents a proof-of-concept method for classifying chemical compounds directly from NMR data without doing structure elucidation. This can help to reduce time in finding good structure candidates, as in most cases matching must be done by

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a187364c3db8a319631e25590d25a9cf

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Optimization and automation of quantitative NMR data extraction

Autor: Chen Peng, Stan Sýkora, Michael A. Bernstein, Carlos Cobas, Agustin Barba

Publikováno v: Analytical chemistry. 85(12)

NMR is routinely used to quantitate chemical species. The necessary experimental procedures to acquire quantitative data are well-known, but relatively little attention has been applied to data processing and analysis. We describe here a robust exper

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e9fa187677c7953c8bbf34c8ab86a76
https://pubmed.ncbi.nlm.nih.gov/23675807

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