Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution.

Saved in:
Bibliographic Details
Title: Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution.
Authors: Katsyuba, Sergey A.1, skatsyuba@yahoo.com, Gerasimova, Tatiana P.1, Spicher, Sebastian2, Bohle, Fabian2, Grimme, Stefan2
Source: Journal of Computational Chemistry; 2/5/2022, Vol. 43 Issue 4, p279-288, 10p
Database: Applied Science & Technology Source
FullText Text:
  Availability: 0
Header DbId: aci
DbLabel: Applied Science & Technology Source
An: 154291482
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AU" term="%22Katsyuba%2C+Sergey+A%2E%22">Katsyuba, Sergey A.</searchLink><relatesTo>1</relatesTo>, <i>skatsyuba@yahoo.com</i><br /><searchLink fieldCode="AU" term="%22Gerasimova%2C+Tatiana+P%2E%22">Gerasimova, Tatiana P.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Spicher%2C+Sebastian%22">Spicher, Sebastian</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Bohle%2C+Fabian%22">Bohle, Fabian</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Grimme%2C+Stefan%22">Grimme, Stefan</searchLink><relatesTo>2</relatesTo>
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22Journal+of+Computational+Chemistry%22">Journal of Computational Chemistry</searchLink>; 2/5/2022, Vol. 43 Issue 4, p279-288, 10p
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=154291482
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1002/jcc.26788
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 10
        StartPage: 279
    Titles:
      – TitleFull: Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Katsyuba, Sergey A.
      – PersonEntity:
          Name:
            NameFull: Gerasimova, Tatiana P.
      – PersonEntity:
          Name:
            NameFull: Spicher, Sebastian
      – PersonEntity:
          Name:
            NameFull: Bohle, Fabian
      – PersonEntity:
          Name:
            NameFull: Grimme, Stefan
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 05
              M: 02
              Text: 2/5/2022
              Type: published
              Y: 2022
          Identifiers:
            – Type: issn-print
              Value: 01928651
          Numbering:
            – Type: volume
              Value: 43
            – Type: issue
              Value: 4
          Titles:
            – TitleFull: Journal of Computational Chemistry
              Type: main
ResultId 1