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A theoretical study on the ionization of CO2 and CS2 with analysis of the vibrational structure of the photoelectron spectra
https://nitech.repo.nii.ac.jp/records/4830
https://nitech.repo.nii.ac.jp/records/4830fdebe68a-51d4-4442-9940-ddc2507451d0
| 名前 / ファイル | ライセンス | アクション |
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本文_fulltext (116.2 kB)
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Copyright (2000) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.The following article appeared in Journal of Chemical Physic, 112(24), pp.10838- 10844 ; 2000 and may be found at http://link.aip.org/link/?jcp/112/10838
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||||||||
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| 公開日 | 2012-11-07 | |||||||||||
| タイトル | ||||||||||||
| タイトル | A theoretical study on the ionization of CO2 and CS2 with analysis of the vibrational structure of the photoelectron spectra | |||||||||||
| 言語 | en | |||||||||||
| 言語 | ||||||||||||
| 言語 | eng | |||||||||||
| 資源タイプ | ||||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||||
| 資源タイプ | journal article | |||||||||||
| 著者 |
Takeshita, Koichi
× Takeshita, Koichi
× Shida, Norihiro
× Miyoshi, Eisaku
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| 著者別名 | ||||||||||||
| 姓名 | 志田, 典弘 | |||||||||||
| bibliographic_information |
en : Journal of Chemical Physics 巻 112, 号 24, p. 10838-10844, 発行日 2000-06-22 |
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| 出版者 | ||||||||||||
| 出版者 | American Institute of Physics | |||||||||||
| 言語 | en | |||||||||||
| ISSN | ||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||
| 収録物識別子 | 0021-9606 | |||||||||||
| item_10001_source_id_32 | ||||||||||||
| 収録物識別子タイプ | NCID | |||||||||||
| 収録物識別子 | AA00694991 | |||||||||||
| 出版タイプ | ||||||||||||
| 出版タイプ | VoR | |||||||||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||||
| 内容記述 | ||||||||||||
| 内容記述タイプ | Other | |||||||||||
| 内容記述 | Ab initio calculations have been performed to study the molecular structures and the vibrational levels of the low-lying ionic states (2Πg, 2Πu, 2Σu+, and 2Σg+) of CO2 and CS2. The global regions of the potential energy surfaces have been obtained by multireference single and double excitation configuration interaction calculations. The vibrational calculations using the explicit vibrational Hamiltonians have been used for the vibrational analysis. The equilibrium molecular structures and the vibrational analysis of the ionic states are presented. The theoretical ionization intensity curves including the vibrational structures of the ionic states are also presented and are compared with the photoelectron spectra. | |||||||||||
| 言語 | en | |||||||||||
