View in EDS

Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions.

Saved in:
Bibliographic Details
Title: Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions.
Authors: Chen A; Maison de la Simulation, UVSQ, CNRS, CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette, France.; Institut de Chimie Physique, UMR-CNRS 8000, Université Paris-Saclay, CNRS, 91405 Orsay, France., Benoit DM; E.A. Milne Centre for Astrophysics, The University of Hull, Cottingham Road, Kingston upon Hull HU6 7RX, U.K., Scribano Y; Laboratoire Univers et Particules de Montpellier, UMR-CNRS 5299, Université de Montpellier, 34095 Montpellier Cedex, France., Nauts A; Institut de Chimie Physique, UMR-CNRS 8000, Université Paris-Saclay, CNRS, 91405 Orsay, France.; Institute of Condensed Matter and Nanosciences (NAPS), Université Catholique de Louvain, 1348 Louvain-la-Neuve, Belgium., Lauvergnat D; Institut de Chimie Physique, UMR-CNRS 8000, Université Paris-Saclay, CNRS, 91405 Orsay, France.
Source: Journal of chemical theory and computation [J Chem Theory Comput] 2022 Jul 12; Vol. 18 (7), pp. 4366-4372. Date of Electronic Publication: 2022 May 18.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
FullText Text:
  Availability: 0
Header DbId: mdl
DbLabel: MEDLINE Ultimate
An: 35584357
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AU" term="%22Chen+A%22">Chen A</searchLink>; Maison de la Simulation, UVSQ, CNRS, CEA, Université Paris-Saclay, 91191 Gif-sur-Yvette, France.; Institut de Chimie Physique, UMR-CNRS 8000, Université Paris-Saclay, CNRS, 91405 Orsay, France.<br /><searchLink fieldCode="AU" term="%22Benoit+DM%22">Benoit DM</searchLink>; E.A. Milne Centre for Astrophysics, The University of Hull, Cottingham Road, Kingston upon Hull HU6 7RX, U.K.<br /><searchLink fieldCode="AU" term="%22Scribano+Y%22">Scribano Y</searchLink>; Laboratoire Univers et Particules de Montpellier, UMR-CNRS 5299, Université de Montpellier, 34095 Montpellier Cedex, France.<br /><searchLink fieldCode="AU" term="%22Nauts+A%22">Nauts A</searchLink>; Institut de Chimie Physique, UMR-CNRS 8000, Université Paris-Saclay, CNRS, 91405 Orsay, France.; Institute of Condensed Matter and Nanosciences (NAPS), Université Catholique de Louvain, 1348 Louvain-la-Neuve, Belgium.<br /><searchLink fieldCode="AU" term="%22Lauvergnat+D%22">Lauvergnat D</searchLink>; Institut de Chimie Physique, UMR-CNRS 8000, Université Paris-Saclay, CNRS, 91405 Orsay, France.
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22101232704%22">Journal of chemical theory and computation</searchLink> [J Chem Theory Comput] 2022 Jul 12; Vol. 18 (7), pp. 4366-4372. <i>Date of Electronic Publication: </i>2022 May 18.
– 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="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101232704 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-9626 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499618%22">15499618 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Theory Comput <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=35584357
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1021/acs.jctc.2c00108
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        StartPage: 4366
    Titles:
      – TitleFull: Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Chen A
      – PersonEntity:
          Name:
            NameFull: Benoit DM
      – PersonEntity:
          Name:
            NameFull: Scribano Y
      – PersonEntity:
          Name:
            NameFull: Nauts A
      – PersonEntity:
          Name:
            NameFull: Lauvergnat D
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 12
              M: 07
              Text: 2022 Jul 12
              Type: published
              Y: 2022
          Identifiers:
            – Type: issn-electronic
              Value: 1549-9626
          Numbering:
            – Type: volume
              Value: 18
            – Type: issue
              Value: 7
          Titles:
            – TitleFull: Journal of chemical theory and computation
              Type: main
ResultId 1