DYNAMICS OF THE COLLINEAR BE+FH-]BEF+H-REACTION

被引：21

作者：

SCHOR, H

CHAPMAN, S

GREEN, S

ZARE, RN

机构：

[1] COLUMBIA UNIV BARNARD COLL,DEPT CHEM,NEW YORK,NY 10027

[2] NASA,INST SPACE STUDIES,NEW YORK,NY 10025

[3] STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1979年 / 83卷 / 08期

关键词：

D O I：

10.1021/j100471a007

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：

Results of a study of the collinear reaction Be + FH(v1) → BeF(v2) + H are summarized. The surface was obtained by an ab initio first-order wave function CI calculation. Dynamics were studied using quasi-classical trajectories. A comparison study was made using a LEPS surface with similar characteristics. The ab initio surface was found to give rise to quite special results. Because of interest in the analogous Ba + HF system, the effect of varying the mass of the atom was observed. © 1979 American Chemical Society.

引用

页码：920 / 922

页数：3

共 8 条

[1] EXPLORATORY STUDY OF REACTANT VIBRATIONAL EFFECTS IN CH3 + H2 AND ITS ISOTOPIC VARIANTS [J].