Photodissociation dynamics of propyne and allene: A view from ab initio calculations of the C3H...

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Title: Photodissociation dynamics of propyne and allene: A view from ab initio calculations of the C3H...
Authors: Mebel, A.M., Jackson, W.M., Chang, A.H.H., Lin, S.H.
Source: Journal of the American Chemical Society. 06/17/98, Vol. 120 Issue 23, p5751. 13p. 7 Diagrams, 4 Charts, 5 Graphs.
Subjects: Chemistry, Potential energy surfaces, Allene
Abstract: Presents a study which investigated the potential energy surfaces of various primary and secondary products from the photodissociation of propyne and allene of C3Heta (eta = 1-4) species. Analysis of the electronic spectrum of propyne; Equilibrium structures and transition states of C3Heta (eta = 1-4); Differences between photon energy and adiabatic excitation energies of equilibrium structures.
Database: Engineering Source
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Header DbId: egs
DbLabel: Engineering Source
An: 795892
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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  Data: Photodissociation dynamics of propyne and allene: A view from ab initio calculations of the C3H...
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  Data: <searchLink fieldCode="AR" term="%22Mebel%2C+A%2EM%2E%22">Mebel, A.M.</searchLink><br /><searchLink fieldCode="AR" term="%22Jackson%2C+W%2EM%2E%22">Jackson, W.M.</searchLink><br /><searchLink fieldCode="AR" term="%22Chang%2C+A%2EH%2EH%2E%22">Chang, A.H.H.</searchLink><br /><searchLink fieldCode="AR" term="%22Lin%2C+S%2EH%2E%22">Lin, S.H.</searchLink>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+the+American+Chemical+Society%22">Journal of the American Chemical Society</searchLink>. 06/17/98, Vol. 120 Issue 23, p5751. 13p. 7 Diagrams, 4 Charts, 5 Graphs.
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  Data: <searchLink fieldCode="DE" term="%22Chemistry%22">Chemistry</searchLink><br /><searchLink fieldCode="DE" term="%22Potential+energy+surfaces%22">Potential energy surfaces</searchLink><br /><searchLink fieldCode="DE" term="%22Allene%22">Allene</searchLink>
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  Data: Presents a study which investigated the potential energy surfaces of various primary and secondary products from the photodissociation of propyne and allene of C3Heta (eta = 1-4) species. Analysis of the electronic spectrum of propyne; Equilibrium structures and transition states of C3Heta (eta = 1-4); Differences between photon energy and adiabatic excitation energies of equilibrium structures.
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RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1021/ja9727169
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      – Code: eng
        Text: English
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        PageCount: 13
        StartPage: 5751
    Subjects:
      – SubjectFull: Chemistry
        Type: general
      – SubjectFull: Potential energy surfaces
        Type: general
      – SubjectFull: Allene
        Type: general
    Titles:
      – TitleFull: Photodissociation dynamics of propyne and allene: A view from ab initio calculations of the C3H...
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            NameFull: Mebel, A.M.
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            NameFull: Jackson, W.M.
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            NameFull: Chang, A.H.H.
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            NameFull: Lin, S.H.
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            – D: 17
              M: 06
              Text: 06/17/98
              Type: published
              Y: 1998
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              Value: 120
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              Value: 23
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            – TitleFull: Journal of the American Chemical Society
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