View in EDS HTML Full Text PDF Full Text

Simple formulas for improved point-charge electrostatics in classical force fields and hybrid quantum mechanical/molecular mechanical embedding.

Saved in:
Bibliographic Details
Title: Simple formulas for improved point-charge electrostatics in classical force fields and hybrid quantum mechanical/molecular mechanical embedding.
Authors: Cisneros, G. A.1 (AUTHOR), Tholander, S. Na‐Im2,3 (AUTHOR), Parisel, O.2,3 (AUTHOR), Darden, T. A.1 (AUTHOR), Elking, D.1 (AUTHOR), Perera, L.1 (AUTHOR), Piquemal, J.‐P.2,3 (AUTHOR) jpp@lct.jussieu.fr
Source: International Journal of Quantum Chemistry. 2008, Vol. 108 Issue 11, p1905-1912. 8p. 2 Diagrams, 1 Chart, 3 Graphs.
Database: Academic Search Ultimate
Full text is not displayed to guests.
FullText Links:
  – Type: pdflink
Text:
  Availability: 1
Header DbId: asn
DbLabel: Academic Search Ultimate
An: 32461128
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Simple formulas for improved point-charge electrostatics in classical force fields and hybrid quantum mechanical/molecular mechanical embedding.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22Cisneros%2C+G%2E+A%2E%22">Cisneros, G. A.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Tholander%2C+S%2E+Na‐Im%22">Tholander, S. Na‐Im</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Parisel%2C+O%2E%22">Parisel, O.</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Darden%2C+T%2E+A%2E%22">Darden, T. A.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Elking%2C+D%2E%22">Elking, D.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Perera%2C+L%2E%22">Perera, L.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Piquemal%2C+J%2E‐P%2E%22">Piquemal, J.‐P.</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<i> jpp@lct.jussieu.fr</i>
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22International+Journal+of+Quantum+Chemistry%22">International Journal of Quantum Chemistry</searchLink>. 2008, Vol. 108 Issue 11, p1905-1912. 8p. 2 Diagrams, 1 Chart, 3 Graphs.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=32461128
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1002/qua.21675
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 8
        StartPage: 1905
    Titles:
      – TitleFull: Simple formulas for improved point-charge electrostatics in classical force fields and hybrid quantum mechanical/molecular mechanical embedding.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Cisneros, G. A.
      – PersonEntity:
          Name:
            NameFull: Tholander, S. Na‐Im
      – PersonEntity:
          Name:
            NameFull: Parisel, O.
      – PersonEntity:
          Name:
            NameFull: Darden, T. A.
      – PersonEntity:
          Name:
            NameFull: Elking, D.
      – PersonEntity:
          Name:
            NameFull: Perera, L.
      – PersonEntity:
          Name:
            NameFull: Piquemal, J.‐P.
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 09
              Text: 2008
              Type: published
              Y: 2008
          Identifiers:
            – Type: issn-print
              Value: 00207608
          Numbering:
            – Type: volume
              Value: 108
            – Type: issue
              Value: 11
          Titles:
            – TitleFull: International Journal of Quantum Chemistry
              Type: main
ResultId 1