QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules

Measurement(s) Chemical Properties • Physical Properties Technology Type(s) quantum chemistry computational method Factor Type(s) molecule Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.13424984

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Autores principales:	Johannes Hoja, Leonardo Medrano Sandonas, Brian G. Ernst, Alvaro Vazquez-Mayagoitia, Robert A. DiStasio Jr., Alexandre Tkatchenko
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/111828365a2b4ecfba11572cfe12cdb6
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spelling	oai:doaj.org-article:111828365a2b4ecfba11572cfe12cdb62021-12-02T10:44:16ZQM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules10.1038/s41597-021-00812-22052-4463https://doaj.org/article/111828365a2b4ecfba11572cfe12cdb62021-02-01T00:00:00Zhttps://doi.org/10.1038/s41597-021-00812-2https://doaj.org/toc/2052-4463Measurement(s) Chemical Properties • Physical Properties Technology Type(s) quantum chemistry computational method Factor Type(s) molecule Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.13424984Johannes HojaLeonardo Medrano SandonasBrian G. ErnstAlvaro Vazquez-MayagoitiaRobert A. DiStasio Jr.Alexandre TkatchenkoNature PortfolioarticleScienceQENScientific Data, Vol 8, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Johannes Hoja Leonardo Medrano Sandonas Brian G. Ernst Alvaro Vazquez-Mayagoitia Robert A. DiStasio Jr. Alexandre Tkatchenko QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
description	Measurement(s) Chemical Properties • Physical Properties Technology Type(s) quantum chemistry computational method Factor Type(s) molecule Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.13424984
format	article
author	Johannes Hoja Leonardo Medrano Sandonas Brian G. Ernst Alvaro Vazquez-Mayagoitia Robert A. DiStasio Jr. Alexandre Tkatchenko
author_facet	Johannes Hoja Leonardo Medrano Sandonas Brian G. Ernst Alvaro Vazquez-Mayagoitia Robert A. DiStasio Jr. Alexandre Tkatchenko
author_sort	Johannes Hoja
title	QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
title_short	QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
title_full	QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
title_fullStr	QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
title_full_unstemmed	QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
title_sort	qm7-x, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/111828365a2b4ecfba11572cfe12cdb6
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QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules

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