A 3-DIMENSIONAL QUANTUM-MECHANICAL STUDY OF THE REACTION O+O-3-]2O(2) EMPLOYING A 6-DIMENSIONAL POTENTIAL-ENERGY SURFACE

被引：19

作者：

SZICHMAN, H ^{[1
]}

VARANDAS, AJC ^{[1
]}

BAER, M ^{[1
]}

机构：

[1] UNIV COIMBRA, DEPT QUIM, P-3049 COIMBRA, PORTUGAL

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 231卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(94)01239-3

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：

We present a three-dimensional quantum mechanical study of the atmospheric highly exothermic reaction O+O-3-->2O(2) employing an accurate six-dimensional potential energy surface. The calculated reactive cross-sections are compared with cross-sections obtained from a quasi-classical-trajectory calculation. A good fit is obtained.

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页码：253 / 256

页数：4

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