Preparative Organic Chemistry
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ChemInform Abstract: Determination of Reactivity by MO Theory. Part 62. Theoretical Studies on the Gas-Phase Pyrolysis of Esters.
First published: September 11, 1990
Abstract
The gas-phase thermal decomposition reactions of esters (I) are studied theoretically by MNDO and AM1.
ChemInform Abstract
The gas-phase thermal decomposition reactions of esters (I) are studied theoretically by MNDO and AM1. The experimental reactivity order is reproduced correctly by AM1 but not with MNDO.
