ELECTRONIC-SPECTRA OF THE OH(A(2)SIGMA(+))-H-2 AND OH(A(2)SIGMA(+))-D-2 COMPLEXES
The electronic spectra for the OHH2 and OHD2 complexes have been predicted from first principles. Our method relies on high quality ab initio calculations of a minimum energy path and adiabatic separation of the bending vibrational modes. The model allows a simple interpretation and tentative assign...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
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1995
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| _version_ | 1797065648933699584 |
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| author | Hernandez, R Clary, D |
| author_facet | Hernandez, R Clary, D |
| author_sort | Hernandez, R |
| collection | OXFORD |
| description | The electronic spectra for the OHH2 and OHD2 complexes have been predicted from first principles. Our method relies on high quality ab initio calculations of a minimum energy path and adiabatic separation of the bending vibrational modes. The model allows a simple interpretation and tentative assignment of an observed experimental spectrum of Loomis and Lester. © 1995. |
| first_indexed | 2024-03-06T21:31:35Z |
| format | Journal article |
| id | oxford-uuid:44dce048-8073-48a9-b1c9-1f55d849a008 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T21:31:35Z |
| publishDate | 1995 |
| record_format | dspace |
| spelling | oxford-uuid:44dce048-8073-48a9-b1c9-1f55d849a0082022-03-26T15:04:11ZELECTRONIC-SPECTRA OF THE OH(A(2)SIGMA(+))-H-2 AND OH(A(2)SIGMA(+))-D-2 COMPLEXESJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:44dce048-8073-48a9-b1c9-1f55d849a008EnglishSymplectic Elements at Oxford1995Hernandez, RClary, DThe electronic spectra for the OHH2 and OHD2 complexes have been predicted from first principles. Our method relies on high quality ab initio calculations of a minimum energy path and adiabatic separation of the bending vibrational modes. The model allows a simple interpretation and tentative assignment of an observed experimental spectrum of Loomis and Lester. © 1995. |
| spellingShingle | Hernandez, R Clary, D ELECTRONIC-SPECTRA OF THE OH(A(2)SIGMA(+))-H-2 AND OH(A(2)SIGMA(+))-D-2 COMPLEXES |
| title | ELECTRONIC-SPECTRA OF THE OH(A(2)SIGMA(+))-H-2 AND OH(A(2)SIGMA(+))-D-2 COMPLEXES |
| title_full | ELECTRONIC-SPECTRA OF THE OH(A(2)SIGMA(+))-H-2 AND OH(A(2)SIGMA(+))-D-2 COMPLEXES |
| title_fullStr | ELECTRONIC-SPECTRA OF THE OH(A(2)SIGMA(+))-H-2 AND OH(A(2)SIGMA(+))-D-2 COMPLEXES |
| title_full_unstemmed | ELECTRONIC-SPECTRA OF THE OH(A(2)SIGMA(+))-H-2 AND OH(A(2)SIGMA(+))-D-2 COMPLEXES |
| title_short | ELECTRONIC-SPECTRA OF THE OH(A(2)SIGMA(+))-H-2 AND OH(A(2)SIGMA(+))-D-2 COMPLEXES |
| title_sort | electronic spectra of the oh a 2 sigma h 2 and oh a 2 sigma d 2 complexes |
| work_keys_str_mv | AT hernandezr electronicspectraoftheoha2sigmah2andoha2sigmad2complexes AT claryd electronicspectraoftheoha2sigmah2andoha2sigmad2complexes |