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Barrier heights and the position of stationary points along the reaction coordinate

✍ Scribed by Murdoch, Joseph R.

Book ID
126405398
Publisher
American Chemical Society
Year
1983
Tongue
English
Weight
778 KB
Volume
105
Category
Article
ISSN
0002-7863

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Properties of the stationary points on the potential energy surface of the ClHCl and HClz systems have been calculated by several ab initio methods using large basis sets with extensive treatment of electron correlation. The most accurate results are consistent with experimental barrier estimates fo