THE POTENTIAL-ENERGY SURFACE OF THE NA(3(2)S1/2)+HF(X1-SIGMA+) REACTION

被引：20

作者：

LAGANA, A

HERNANDEZ, MLH

ALVARINO, JM

CASTRO, L

PALMIERI, P

机构：

[1] UNIV SALAMANCA, DEPT QUIM FIS, SALAMANCA, SPAIN

[2] UNIV BOLOGNA, DIPARTIMENTO CHIM FIS & INORGAN, I-40126 BOLOGNA, ITALY

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 202卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(93)85279-W

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 potential energy surface for the ground state Na + HF reaction has been computed at an ab initio level and represented using a polynomial in the bond order coordinates. The accuracy of the surface is discussed by comparing the results of quasiclassical dynamical calculations with experimental information.

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页码：284 / 290

页数：7

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