ENERGIES OF DOUBLY-CHARGED MOLECULAR-IONS CALCULATED USING HAM-3

被引：12

作者：

ASBRINK, L

FRIDH, C

LINDHOLM, E

机构：

[1] Department of Physics, Royal Institute of Technology

来源：

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES | 1979年 / 32卷 / 01期

关键词：

D O I：

10.1016/0020-7381(79)80086-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The energies of some doubly-charged molecular ions are calculated using the new semi-empirical MO method HAM/3. The calculated energies are compared with the corresponding mass spectrometric appearance potentials and energies from Auger spectra. Both small molecules (N2, CO, H2O2, NH3, CO2, N2O and C3O2) and large molecules (benzene, toluene and naphthalene) have been considered. © 1979.

引用

页码：93 / 96

页数：4

共 16 条

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[8] INTERPRETATION OF ELECTRON-SPECTRA .3. SPECTRA OF FORAMIDE, STUDIED WITH HAM-3
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[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (06) : 737 - 740
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MARK, TD
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MARK, TD
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