Publication
Chemical Physics Letters
Paper

Distortional effects on the ethane internal rotation barrier and rotation barriers in borazane and methylsilane

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Abstract

Distortional effects on the barrier to internal rotation of ethane are investigated through ab initio calculations, yielding a theoretical barrier of 3.071 kcal/mole (experimental 2.928 kcal/mole). The computed barrier is 3.064 kcal/mole for borazane and 1.44 kcal/mole for methylsilane (experimental 1.71 kcal/mole). © 1969.

Date

01 Jan 1969

Publication

Chemical Physics Letters

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