| タイトル | Photodissociation of CH2. I - Potential energy surfaces of the dissociation into CH and H |
| 著者（英） | Van Hemert, Marc C.; Van Dishoeck, Ewine F.; Bearda, Robert A. |
| 著者所属（英） | NASA Headquarters |
| 発行日 | 1992-12-01 |
| 言語 | eng |
| 内容記述 | The possible photodissociation pathways of the CH2 radical are studied using ab initio multireference configuration-interaction methods, and accurate photodissociation cross sections and branching ratios for the production of CH + H and C + H2 are obtained. Potential energy surfaces were calculated using the Wuppertal-Bonn self-consistent field plus a multireference single and double-excitation configuration interaction package of programs. Two-dimensional potential energy surfaces of the ten lowest triplet states correlating with the seven lowest states of CH were calculated as functions of bond angle and one C-H bond distance, keeping the other C-H bond distance fixed at the equilibrium CH2 value. |
| NASA分類 | ATOMIC AND MOLECULAR PHYSICS |
| レポートNO | 93A19830 |
| 権利 | Copyright |
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