Ab initio oligomer calculations of dynamic properties of polyacetylene
Cui, C. X. ; Kertesz, M. ; Dupuis, M.
College Park, Md. : American Institute of Physics (AIP)
Published 1990
College Park, Md. : American Institute of Physics (AIP)
Published 1990
| ISSN: |
1089-7690
|
|---|---|
| Source: |
AIP Digital Archive
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| Topics: |
Physics
Chemistry and Pharmacology
|
| Notes: |
The electronic and dynamic properties of all-trans polyacetylene have been calculated on the basis of oligomer calculations on H–(CH)10–H and H–(CH)22–H at the ab initio 6-31G level. The calculated ir and Raman intensities are in good agreement with the experimental relative intensities.
|
| Type of Medium: |
Electronic Resource
|
| URL: |
| _version_ | 1798289746289491968 |
|---|---|
| autor | Cui, C. X. Kertesz, M. Dupuis, M. |
| autorsonst | Cui, C. X. Kertesz, M. Dupuis, M. |
| book_url | http://dx.doi.org/10.1063/1.459586 |
| datenlieferant | nat_lic_papers |
| hauptsatz | hsatz_simple |
| identnr | NLZ21885451X |
| issn | 1089-7690 |
| journal_name | The Journal of Chemical Physics |
| materialart | 1 |
| notes | The electronic and dynamic properties of all-trans polyacetylene have been calculated on the basis of oligomer calculations on H–(CH)10–H and H–(CH)22–H at the ab initio 6-31G level. The calculated ir and Raman intensities are in good agreement with the experimental relative intensities. |
| package_name | American Institute of Physics (AIP) |
| publikationsjahr_anzeige | 1990 |
| publikationsjahr_facette | 1990 |
| publikationsjahr_intervall | 8009:1990-1994 |
| publikationsjahr_sort | 1990 |
| publikationsort | College Park, Md. |
| publisher | American Institute of Physics (AIP) |
| reference | 93 (1990), S. 5890-5892 |
| search_space | articles |
| shingle_author_1 | Cui, C. X. Kertesz, M. Dupuis, M. |
| shingle_author_2 | Cui, C. X. Kertesz, M. Dupuis, M. |
| shingle_author_3 | Cui, C. X. Kertesz, M. Dupuis, M. |
| shingle_author_4 | Cui, C. X. Kertesz, M. Dupuis, M. |
| shingle_catch_all_1 | Cui, C. X. Kertesz, M. Dupuis, M. Ab initio oligomer calculations of dynamic properties of polyacetylene The electronic and dynamic properties of all-trans polyacetylene have been calculated on the basis of oligomer calculations on H–(CH)10–H and H–(CH)22–H at the ab initio 6-31G level. The calculated ir and Raman intensities are in good agreement with the experimental relative intensities. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_catch_all_2 | Cui, C. X. Kertesz, M. Dupuis, M. Ab initio oligomer calculations of dynamic properties of polyacetylene The electronic and dynamic properties of all-trans polyacetylene have been calculated on the basis of oligomer calculations on H–(CH)10–H and H–(CH)22–H at the ab initio 6-31G level. The calculated ir and Raman intensities are in good agreement with the experimental relative intensities. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_catch_all_3 | Cui, C. X. Kertesz, M. Dupuis, M. Ab initio oligomer calculations of dynamic properties of polyacetylene The electronic and dynamic properties of all-trans polyacetylene have been calculated on the basis of oligomer calculations on H–(CH)10–H and H–(CH)22–H at the ab initio 6-31G level. The calculated ir and Raman intensities are in good agreement with the experimental relative intensities. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_catch_all_4 | Cui, C. X. Kertesz, M. Dupuis, M. Ab initio oligomer calculations of dynamic properties of polyacetylene The electronic and dynamic properties of all-trans polyacetylene have been calculated on the basis of oligomer calculations on H–(CH)10–H and H–(CH)22–H at the ab initio 6-31G level. The calculated ir and Raman intensities are in good agreement with the experimental relative intensities. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_title_1 | Ab initio oligomer calculations of dynamic properties of polyacetylene |
| shingle_title_2 | Ab initio oligomer calculations of dynamic properties of polyacetylene |
| shingle_title_3 | Ab initio oligomer calculations of dynamic properties of polyacetylene |
| shingle_title_4 | Ab initio oligomer calculations of dynamic properties of polyacetylene |
| sigel_instance_filter | dkfz geomar wilbert ipn albert |
| source_archive | AIP Digital Archive |
| timestamp | 2024-05-06T08:05:44.356Z |
| titel | Ab initio oligomer calculations of dynamic properties of polyacetylene |
| titel_suche | Ab initio oligomer calculations of dynamic properties of polyacetylene |
| topic | U V |
| uid | nat_lic_papers_NLZ21885451X |