Dynamics study of the HO(v′=0)+O2(v") branching atmospheric reaction.: 1.: Formation of hydroperoxyl radical

被引：19

作者：

Garrido, JD

Caridade, PJSB

Varandas, AJC ^{[1
]}

机构：

[1] Univ Coimbra, Dept Quim, P-3049 Coimbra, Portugal

[2] Inst Super Ciencias & Tecnol Nucl, Dept Fis Gen & Matemat, Havana 6163, Cuba

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 1999年 / 103卷 / 25期

关键词：

D O I：

10.1021/jp990756o

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 report a theoretical study of the title four-atom atmospheric reaction for a range of translational energies 0.1 less than or equal to E-tr/kcal mol(-1) less than or equal to 40 and the range 13 less than or equal to upsilon " less than or equal to 27 of vibrational quantum numbers of the oxygen molecule. All calculations have employed the quasiclassical trajectory method, and a realistic potential energy surface obtained by using the double many-body expansion (DMBE) method for ground-state HO3.

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收藏

页码：4815 / 4822

页数：8

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