| Experimental and Theoretical Investigation of Valence Orbitals in 1,4-Dioxane by Electron momentum Spectroscopy |
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| 引用本文： | 杨铁成 宁传刚 苏国林 邓景康 张书锋 任雪光 黄艳茹. Experimental and Theoretical Investigation of Valence Orbitals in 1,4-Dioxane by Electron momentum Spectroscopy[J]. 中国物理快报, 2006, 23(5): 1157-1160 |
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| 作者姓名： | 杨铁成 宁传刚 苏国林 邓景康 张书锋 任雪光 黄艳茹 |
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| 作者单位： | Department of Physics and Key Laboratory of Atomic and Molecular NanoSciences of MOE, Tsinghua University, Beijing 100084 |
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| 基金项目： | Supported bv the National Natural Science Foundation of China under Grant No 10575062, and the Specialized Research Fund for the Doctoral Programme of Higher Education under Grant No 20050003084. |
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| 摘 要： | The binding energy spectrum of all valence orbitals and the momentum distributions of highest occupied molecular orbital （HOMO： 8ag）, 7bu＋7ag, 4bu, 2bg ＋4ag and 2au in 1, 4-dioxane are investigated by electron momentum spectroscopy （EMS） with 600 eV impact energy. The experimental results are consistent with theoretical calcula- tions of C2h chair conformation using the Hartree-Fock method and density functional theory with 6-311＋＋G^＊＊ and AUG-CC-PVTZ basis sets.
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| 关 键 词： | 原子价轨道 电子动量光谱 能量光谱 原子物理学 |
| 收稿时间： | 2006-01-11 |
| 修稿时间： | 2006-01-11 |
Experimental and Theoretical Investigation of Valence Orbitals in 1,4-Dioxane by Electron momentum Spectroscopy |
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| YANG Tie-Cheng, NING Chuan-Gang, SU Guo-Lin, DENG Jing-Kang, ZHANG Shu-Feng, REN Xue-Guang, HUANG Yan-Ru. Experimental and Theoretical Investigation of Valence Orbitals in 1,4-Dioxane by Electron momentum Spectroscopy[J]. Chinese Physics Letters, 2006, 23(5): 1157-1160 |
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| Authors: | YANG Tie-Cheng NING Chuan-Gang SU Guo-Lin DENG Jing-Kang ZHANG Shu-Feng REN Xue-Guang HUANG Yan-Ru |
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| Affiliation: | Department of Physics and Key Laboratory of Atomic and Molecular NanoSciences of MOE, Tsinghua University, Beijing 100084 |
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