An investigation of the HOMO electron density distribution of cyclopentene by electron momentum spectroscopy

Ren XG; Ning CG; Deng JK; Zhang SF; Su GL; Zhou H; Li B; Li GQ

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An investigation of the HOMO electron density distribution of cyclopentene by electron momentum spectroscopy

机译：电子动量谱研究环戊烯的HOMO电子密度分布

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摘要

The highest occupied molecular orbital (HOMO) of cyclopentene (C5H8) has been studied by a binary (e, 2e) electron momentum spectroscopy, at an impact energy of 1200 eV plus the binding energy and using symmetric non-coplanar kinematics. The first measurements of the complete valence shell binding energy spectra and the HOMO momentum profile are reported. The experimental momentum profile of HOMO is compared with the theoretical momentum profiles calculated using Hartree-Fock and density functional theory method with various basis sets. The EMS experimental result is well described by the calculations. (C) 2004 Elsevier B.V. All rights reserved.

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《Chemical Physics Letters》 |2004年第3期|共5页
作者
Ren XG; Ning CG; Deng JK; Zhang SF; Su GL; Zhou H; Li B; Li GQ;
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正文语种 eng
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ORDERED ORGANIC MONOLAYERS; BINARY E; 2E SPECTROSCOPY; CYCLOADDITION CHEMISTRY; PHOTOELECTRON-SPECTRA; ADSORPTION; MOLECULES; ENERGIES; SI(001); SURFACE;

机译：有序有机单分子膜;二元E;2E光谱;循环载荷化学;光电子谱;吸附;分子;能量;SI（001）;表面;

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专利

1. An investigation of the HOMO electron density distribution of cyclopentene by electron momentum spectroscopy [J] . Ren XG, Ning CG, Deng JK, Chemical Physics Letters . 2004,第1a3期

机译：电子动量谱研究环戊烯的HOMO电子密度分布
2. Momentum distributions and molecular property information for trans 1,3 butadiene: An electron momentum spectroscopy and density functional theory investigation [J] . Brunger MJ., Michalewicz MT., Weigold E., The Journal of Chemical Physics . 1998,第5期

机译：反式1,3-丁二烯的动量分布和分子性质信息：电子动量谱和密度泛函理论研究
3. An investigation of the outer valance orbital electron density distribution of ethylene by electron momentum spectroscopy at 800 eV [J] . Li GQ, Deng JK, Huang JD, The European physical journal, D. Atomic, molecular, and optical physics . 2005,第3期

机译：用800 eV的电子动量谱研究乙烯的外价轨道电子密度分布
4. 3D electron momentum densities: a comparision of ( #gamma# , e #gamma# ) and (e,2e) spectroscopy [C] . F.F.Kurp, M.Vos, Th.Tschentscher, International conference on application of accelerators in research and industry . 1997

机译：3D电子动量密度：（＃gamma＃，e＃gamma＃）和（e，2e）光谱的比较
5. Green's function and Dyson orbital studies of the electronic structure of cage compounds and flexible molecules: A confrontation of many -body quantum mechanics with electron momentum, photo-electron and penning ionization electron spectroscopies [D] . Knippenberg, Stefan 2007

机译：笼子化合物和柔性分子的电子结构的格林函数和戴森轨道研究：多体量子力学与电子动量，光电子和潘宁电离电子光谱学的对立
6. Publisher Correction: Electron momentum densities near Dirac cones: Anisotropic Umklapp scattering and momentum broadening [O] . N. Hiraoka, T. Nomura -1

机译：出版商更正：狄拉克锥附近的电子动量密度：各向异性Umklapp散射和动量展宽
7. Momentum distributions and molecular property information for trans 1,3 butadiene: An electron momentum spectroscopy and density functional theory investigation [O] . M. J. Brunger, D. A. Winkler, M. T. Michalewicz, 1998

机译：反式1,3丁二烯的动量分布和分子特性信息：电子动量光谱和密度泛函理论调查
8. Energy-momentum density of graphite by electron-momentum spectroscopy [R] . Vos, M. , Fang, Z. , Canney, S. , 1996

机译：电子动量谱法研究石墨的能量动量密度

An investigation of the HOMO electron density distribution of cyclopentene by electron momentum spectroscopy

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