Electron nuclear dynamics of proton collisions with methane at 30 eV

被引：50

作者：

Jacquemin, D ^{[1
]}

Morales, JA ^{[1
]}

Deumens, E ^{[1
]}

Ohrn, Y ^{[1
]}

机构：

[1] FAC UNIV NOTRE DAME PAIX, LAB CHIM THEOR APPL, B-5000 NAMUR, BELGIUM

来源：

JOURNAL OF CHEMICAL PHYSICS | 1997年 / 107卷 / 16期

关键词：

D O I：

10.1063/1.474343

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The reactive collisions of protons with methane molecules at 30 eV in the laboratory frame are studied with the electron nuclear dynamics (END). The results from this theoretical approach, which does not invoke the Born-Oppenheimer approximation and does not impose any constraints on the nuclear dynamics, are compared to the results from time-of-flight measurements. Total differential cross sections and integral cross sections as well as fragmentation ratios and energy loss spectra are discussed. (C) 1997 American Institute of Physics.

引用

页码：6146 / 6155

页数：10

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