View in EDS HTML Full Text PDF Full Text

The Best DFT Functional Is the Ensemble of Functionals.

Saved in:
Bibliographic Details
Title: The Best DFT Functional Is the Ensemble of Functionals.
Authors: Rui Y; State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen, Fujian, 361005, China., Chen Y; State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen, Fujian, 361005, China., Ivanova E; Chair of Statistics, School of Business and Economics, Humboldt University of Berlin, Unter den Linden 6, 10099, Berlin, Germany., Kumar VB; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland., Śmiga S; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland., Grabowski I; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland., Dral PO; State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen, Fujian, 361005, China.; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland.
Source: Advanced science (Weinheim, Baden-Wurttemberg, Germany) [Adv Sci (Weinh)] 2024 Dec; Vol. 11 (47), pp. e2408239. Date of Electronic Publication: 2024 Oct 25.
Publication Type: Journal Article
Journal Info: Publisher: WILEY-VCH Country of Publication: Germany NLM ID: 101664569 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2198-3844 (Electronic) Linking ISSN: 21983844 NLM ISO Abbreviation: Adv Sci (Weinh) Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
Full text is not displayed to guests.
FullText Links:
  – Type: pdflink
Text:
  Availability: 1
Header DbId: mdl
DbLabel: MEDLINE Ultimate
An: 39450690
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: The Best DFT Functional Is the Ensemble of Functionals.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AU" term="%22Rui+Y%22">Rui Y</searchLink>; State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen, Fujian, 361005, China.<br /><searchLink fieldCode="AU" term="%22Chen+Y%22">Chen Y</searchLink>; State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen, Fujian, 361005, China.<br /><searchLink fieldCode="AU" term="%22Ivanova+E%22">Ivanova E</searchLink>; Chair of Statistics, School of Business and Economics, Humboldt University of Berlin, Unter den Linden 6, 10099, Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Kumar+VB%22">Kumar VB</searchLink>; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland.<br /><searchLink fieldCode="AU" term="%22Śmiga+S%22">Śmiga S</searchLink>; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland.<br /><searchLink fieldCode="AU" term="%22Grabowski+I%22">Grabowski I</searchLink>; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland.<br /><searchLink fieldCode="AU" term="%22Dral+PO%22">Dral PO</searchLink>; State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen, Fujian, 361005, China.; Institute of Physics, Faculty of Physics, Astronomy, and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, Toruń, 87-100, Poland.
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22101664569%22">Advanced science (Weinheim, Baden-Wurttemberg, Germany)</searchLink> [Adv Sci (Weinh)] 2024 Dec; Vol. 11 (47), pp. e2408239. <i>Date of Electronic Publication: </i>2024 Oct 25.
– Name: TypePub
  Label: Publication Type
  Group: TypPub
  Data: Journal Article
– Name: TitleSource
  Label: Journal Info
  Group: Src
  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22WILEY-VCH%22">WILEY-VCH </searchLink><i>Country of Publication: </i>Germany <i>NLM ID: </i>101664569 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>2198-3844 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2221983844%22">21983844 </searchLink><i>NLM ISO Abbreviation: </i>Adv Sci (Weinh) <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=39450690
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1002/advs.202408239
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        StartPage: e2408239
    Titles:
      – TitleFull: The Best DFT Functional Is the Ensemble of Functionals.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Rui Y
      – PersonEntity:
          Name:
            NameFull: Chen Y
      – PersonEntity:
          Name:
            NameFull: Ivanova E
      – PersonEntity:
          Name:
            NameFull: Kumar VB
      – PersonEntity:
          Name:
            NameFull: Śmiga S
      – PersonEntity:
          Name:
            NameFull: Grabowski I
      – PersonEntity:
          Name:
            NameFull: Dral PO
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 12
              Text: 2024 Dec
              Type: published
              Y: 2024
          Identifiers:
            – Type: issn-electronic
              Value: 2198-3844
          Numbering:
            – Type: volume
              Value: 11
            – Type: issue
              Value: 47
          Titles:
            – TitleFull: Advanced science (Weinheim, Baden-Wurttemberg, Germany)
              Type: main
ResultId 1