View in EDS HTML Full Text PDF Full Text

Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory.

Saved in:
Bibliographic Details
Title: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory.
Authors: Stylianakis, Ioannis1, Zervos, Nikolaos1, Lii, Jenn-Huei2, Pantazis, Dimitrios A.3, Kolocouris, Antonios1,4, ankol@pharm.uoa.gr
Source: Journal of Computer-Aided Molecular Design; Dec2023, Vol. 37 Issue 12, p607-656, 50p
Database: Applied Science & Technology Source
Full text is not displayed to guests.
FullText Links:
  – Type: pdflink
Text:
  Availability: 1
Header DbId: aci
DbLabel: Applied Science & Technology Source
An: 173367430
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AU" term="%22Stylianakis%2C+Ioannis%22">Stylianakis, Ioannis</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Zervos%2C+Nikolaos%22">Zervos, Nikolaos</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Lii%2C+Jenn-Huei%22">Lii, Jenn-Huei</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Pantazis%2C+Dimitrios+A%2E%22">Pantazis, Dimitrios A.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AU" term="%22Kolocouris%2C+Antonios%22">Kolocouris, Antonios</searchLink><relatesTo>1,4</relatesTo>, <i>ankol@pharm.uoa.gr</i>
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22Journal+of+Computer-Aided+Molecular+Design%22">Journal of Computer-Aided Molecular Design</searchLink>; Dec2023, Vol. 37 Issue 12, p607-656, 50p
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=173367430
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1007/s10822-023-00513-5
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 50
        StartPage: 607
    Titles:
      – TitleFull: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Stylianakis, Ioannis
      – PersonEntity:
          Name:
            NameFull: Zervos, Nikolaos
      – PersonEntity:
          Name:
            NameFull: Lii, Jenn-Huei
      – PersonEntity:
          Name:
            NameFull: Pantazis, Dimitrios A.
      – PersonEntity:
          Name:
            NameFull: Kolocouris, Antonios
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 12
              Text: Dec2023
              Type: published
              Y: 2023
          Identifiers:
            – Type: issn-print
              Value: 0920654X
          Numbering:
            – Type: volume
              Value: 37
            – Type: issue
              Value: 12
          Titles:
            – TitleFull: Journal of Computer-Aided Molecular Design
              Type: main
ResultId 1