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Mechanisms and transition structures for conjugate and carbonyl addition of ammonia to three small alpha,beta-unsaturated carbonyl compounds. An ab initio molecular orbital study
(ELSEVIER SCIENCE BV, 2001)
Transition structures for the addition of ammonia to s-cis and s-trans acrolein, methyl vinyl ketone, and 2-butenal have been located with ab initio molecular orbital calculations. Optimization of the geometries of reactants, ...