Quantum chemical benchmark databases of gold-standard dimer interaction energies

Measurement(s) Molecular Interaction Process • interaction energy • energy Technology Type(s) ab initio quantum chemistry computational method Factor Type(s) molecular entity Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.13521638

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Autores principales:	Alexander G. Donchev, Andrew G. Taube, Elizabeth Decolvenaere, Cory Hargus, Robert T. McGibbon, Ka-Hei Law, Brent A. Gregersen, Je-Luen Li, Kim Palmo, Karthik Siva, Michael Bergdorf, John L. Klepeis, David E. Shaw
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/df499c8fd96d49e28bfb321073fd8e1f
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spelling	oai:doaj.org-article:df499c8fd96d49e28bfb321073fd8e1f2021-12-02T14:11:33ZQuantum chemical benchmark databases of gold-standard dimer interaction energies10.1038/s41597-021-00833-x2052-4463https://doaj.org/article/df499c8fd96d49e28bfb321073fd8e1f2021-02-01T00:00:00Zhttps://doi.org/10.1038/s41597-021-00833-xhttps://doaj.org/toc/2052-4463Measurement(s) Molecular Interaction Process • interaction energy • energy Technology Type(s) ab initio quantum chemistry computational method Factor Type(s) molecular entity Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.13521638Alexander G. DonchevAndrew G. TaubeElizabeth DecolvenaereCory HargusRobert T. McGibbonKa-Hei LawBrent A. GregersenJe-Luen LiKim PalmoKarthik SivaMichael BergdorfJohn L. KlepeisDavid E. ShawNature PortfolioarticleScienceQENScientific Data, Vol 8, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Alexander G. Donchev Andrew G. Taube Elizabeth Decolvenaere Cory Hargus Robert T. McGibbon Ka-Hei Law Brent A. Gregersen Je-Luen Li Kim Palmo Karthik Siva Michael Bergdorf John L. Klepeis David E. Shaw Quantum chemical benchmark databases of gold-standard dimer interaction energies
description	Measurement(s) Molecular Interaction Process • interaction energy • energy Technology Type(s) ab initio quantum chemistry computational method Factor Type(s) molecular entity Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.13521638
format	article
author	Alexander G. Donchev Andrew G. Taube Elizabeth Decolvenaere Cory Hargus Robert T. McGibbon Ka-Hei Law Brent A. Gregersen Je-Luen Li Kim Palmo Karthik Siva Michael Bergdorf John L. Klepeis David E. Shaw
author_facet	Alexander G. Donchev Andrew G. Taube Elizabeth Decolvenaere Cory Hargus Robert T. McGibbon Ka-Hei Law Brent A. Gregersen Je-Luen Li Kim Palmo Karthik Siva Michael Bergdorf John L. Klepeis David E. Shaw
author_sort	Alexander G. Donchev
title	Quantum chemical benchmark databases of gold-standard dimer interaction energies
title_short	Quantum chemical benchmark databases of gold-standard dimer interaction energies
title_full	Quantum chemical benchmark databases of gold-standard dimer interaction energies
title_fullStr	Quantum chemical benchmark databases of gold-standard dimer interaction energies
title_full_unstemmed	Quantum chemical benchmark databases of gold-standard dimer interaction energies
title_sort	quantum chemical benchmark databases of gold-standard dimer interaction energies
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/df499c8fd96d49e28bfb321073fd8e1f
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Quantum chemical benchmark databases of gold-standard dimer interaction energies

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