Scf-Mo Studies of the Rotational Potential Energy Surface of trans-cisoidal Polyacetylene
Molecular Hartree-Fock calculations have been performed on trans-cisoidal polyacetylene to study the effect of simultaneous rotation about two successive single bonds on the energy of this polymer. A potential energy surface mapped out for this molecule shows that the all-trans conformation correspo...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Darsey, J. A. [verfasserIn] Kuehler, J. F. [verfasserIn] Rao, B. K. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2011 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of macromolecular science / A - Philadelphia, Pa. : Taylor & Francis, 1967, 27(1990), 3 vom: 01. März, Seite 339-345 |
|---|---|
| Übergeordnetes Werk: |
number:3 ; volume:27 ; year:1990 ; month:03 ; day:01 ; pages:339-345 |
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10.1080/00222339009349557 |
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| 520 | |a Molecular Hartree-Fock calculations have been performed on trans-cisoidal polyacetylene to study the effect of simultaneous rotation about two successive single bonds on the energy of this polymer. A potential energy surface mapped out for this molecule shows that the all-trans conformation corresponding to the simultaneous rotations of all single bonds by 180° is the lowest energy state for this polymer. | ||
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10.1080/00222339009349557 doi (DE-627)NLEJ253504341 (TFO)791180159 DE-627 ger DE-627 rda eng Darsey, J. A. verfasserin aut Scf-Mo Studies of the Rotational Potential Energy Surface of trans-cisoidal Polyacetylene 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Molecular Hartree-Fock calculations have been performed on trans-cisoidal polyacetylene to study the effect of simultaneous rotation about two successive single bonds on the energy of this polymer. A potential energy surface mapped out for this molecule shows that the all-trans conformation corresponding to the simultaneous rotations of all single bonds by 180° is the lowest energy state for this polymer. Kuehler, J. F. verfasserin aut Rao, B. K. verfasserin aut Enthalten in Journal of macromolecular science / A Philadelphia, Pa. : Taylor & Francis, 1967 27(1990), 3 vom: 01. März, Seite 339-345 Online-Ressource (DE-627)NLEJ253482909 (DE-600)2027384-8 (DE-576)263253791 1520-5738 nnns number:3 volume:27 year:1990 month:03 day:01 pages:339-345 https://www.tib.eu/de/suchen/id/tandf%3Acde778d396c01d8a52607b3aa34c79eb0d9f38ab Digitalisierung Deutschlandweit zugänglich ZDB-1-TFO GBV_NL_ARTICLE AR 3 27 1990 3 01 339-345 |
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10.1080/00222339009349557 doi (DE-627)NLEJ253504341 (TFO)791180159 DE-627 ger DE-627 rda eng Darsey, J. A. verfasserin aut Scf-Mo Studies of the Rotational Potential Energy Surface of trans-cisoidal Polyacetylene 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Molecular Hartree-Fock calculations have been performed on trans-cisoidal polyacetylene to study the effect of simultaneous rotation about two successive single bonds on the energy of this polymer. A potential energy surface mapped out for this molecule shows that the all-trans conformation corresponding to the simultaneous rotations of all single bonds by 180° is the lowest energy state for this polymer. Kuehler, J. F. verfasserin aut Rao, B. K. verfasserin aut Enthalten in Journal of macromolecular science / A Philadelphia, Pa. : Taylor & Francis, 1967 27(1990), 3 vom: 01. März, Seite 339-345 Online-Ressource (DE-627)NLEJ253482909 (DE-600)2027384-8 (DE-576)263253791 1520-5738 nnns number:3 volume:27 year:1990 month:03 day:01 pages:339-345 https://www.tib.eu/de/suchen/id/tandf%3Acde778d396c01d8a52607b3aa34c79eb0d9f38ab Digitalisierung Deutschlandweit zugänglich ZDB-1-TFO GBV_NL_ARTICLE AR 3 27 1990 3 01 339-345 |
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10.1080/00222339009349557 doi (DE-627)NLEJ253504341 (TFO)791180159 DE-627 ger DE-627 rda eng Darsey, J. A. verfasserin aut Scf-Mo Studies of the Rotational Potential Energy Surface of trans-cisoidal Polyacetylene 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Molecular Hartree-Fock calculations have been performed on trans-cisoidal polyacetylene to study the effect of simultaneous rotation about two successive single bonds on the energy of this polymer. A potential energy surface mapped out for this molecule shows that the all-trans conformation corresponding to the simultaneous rotations of all single bonds by 180° is the lowest energy state for this polymer. Kuehler, J. F. verfasserin aut Rao, B. K. verfasserin aut Enthalten in Journal of macromolecular science / A Philadelphia, Pa. : Taylor & Francis, 1967 27(1990), 3 vom: 01. März, Seite 339-345 Online-Ressource (DE-627)NLEJ253482909 (DE-600)2027384-8 (DE-576)263253791 1520-5738 nnns number:3 volume:27 year:1990 month:03 day:01 pages:339-345 https://www.tib.eu/de/suchen/id/tandf%3Acde778d396c01d8a52607b3aa34c79eb0d9f38ab Digitalisierung Deutschlandweit zugänglich ZDB-1-TFO GBV_NL_ARTICLE AR 3 27 1990 3 01 339-345 |
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10.1080/00222339009349557 doi (DE-627)NLEJ253504341 (TFO)791180159 DE-627 ger DE-627 rda eng Darsey, J. A. verfasserin aut Scf-Mo Studies of the Rotational Potential Energy Surface of trans-cisoidal Polyacetylene 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Molecular Hartree-Fock calculations have been performed on trans-cisoidal polyacetylene to study the effect of simultaneous rotation about two successive single bonds on the energy of this polymer. A potential energy surface mapped out for this molecule shows that the all-trans conformation corresponding to the simultaneous rotations of all single bonds by 180° is the lowest energy state for this polymer. Kuehler, J. F. verfasserin aut Rao, B. K. verfasserin aut Enthalten in Journal of macromolecular science / A Philadelphia, Pa. : Taylor & Francis, 1967 27(1990), 3 vom: 01. März, Seite 339-345 Online-Ressource (DE-627)NLEJ253482909 (DE-600)2027384-8 (DE-576)263253791 1520-5738 nnns number:3 volume:27 year:1990 month:03 day:01 pages:339-345 https://www.tib.eu/de/suchen/id/tandf%3Acde778d396c01d8a52607b3aa34c79eb0d9f38ab Digitalisierung Deutschlandweit zugänglich ZDB-1-TFO GBV_NL_ARTICLE AR 3 27 1990 3 01 339-345 |
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10.1080/00222339009349557 doi (DE-627)NLEJ253504341 (TFO)791180159 DE-627 ger DE-627 rda eng Darsey, J. A. verfasserin aut Scf-Mo Studies of the Rotational Potential Energy Surface of trans-cisoidal Polyacetylene 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Molecular Hartree-Fock calculations have been performed on trans-cisoidal polyacetylene to study the effect of simultaneous rotation about two successive single bonds on the energy of this polymer. A potential energy surface mapped out for this molecule shows that the all-trans conformation corresponding to the simultaneous rotations of all single bonds by 180° is the lowest energy state for this polymer. Kuehler, J. F. verfasserin aut Rao, B. K. verfasserin aut Enthalten in Journal of macromolecular science / A Philadelphia, Pa. : Taylor & Francis, 1967 27(1990), 3 vom: 01. März, Seite 339-345 Online-Ressource (DE-627)NLEJ253482909 (DE-600)2027384-8 (DE-576)263253791 1520-5738 nnns number:3 volume:27 year:1990 month:03 day:01 pages:339-345 https://www.tib.eu/de/suchen/id/tandf%3Acde778d396c01d8a52607b3aa34c79eb0d9f38ab Digitalisierung Deutschlandweit zugänglich ZDB-1-TFO GBV_NL_ARTICLE AR 3 27 1990 3 01 339-345 |
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scf-mo studies of the rotational potential energy surface of trans-cisoidal polyacetylene |
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Scf-Mo Studies of the Rotational Potential Energy Surface of trans-cisoidal Polyacetylene |
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Molecular Hartree-Fock calculations have been performed on trans-cisoidal polyacetylene to study the effect of simultaneous rotation about two successive single bonds on the energy of this polymer. A potential energy surface mapped out for this molecule shows that the all-trans conformation corresponding to the simultaneous rotations of all single bonds by 180° is the lowest energy state for this polymer. |
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Molecular Hartree-Fock calculations have been performed on trans-cisoidal polyacetylene to study the effect of simultaneous rotation about two successive single bonds on the energy of this polymer. A potential energy surface mapped out for this molecule shows that the all-trans conformation corresponding to the simultaneous rotations of all single bonds by 180° is the lowest energy state for this polymer. |
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Molecular Hartree-Fock calculations have been performed on trans-cisoidal polyacetylene to study the effect of simultaneous rotation about two successive single bonds on the energy of this polymer. A potential energy surface mapped out for this molecule shows that the all-trans conformation corresponding to the simultaneous rotations of all single bonds by 180° is the lowest energy state for this polymer. |
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