A theoretical study of steric effects in
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Frank Jensen
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Article
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1992
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Elsevier Science
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English
โ 453 KB
The gas phase reaction of chloride ion with alkyl chlorides (methyl, ethyl, propyl, i-propyl,/-butyl, t-butyl and neo-pentyl ) has been studied by ab initio methods. Geometries of stationary points along the reaction coordinate have been optimized at the MP2/6-31 G\* level of theory and improved ene