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The inversion reaction of hydroxy lamine was investigated by using the ab initiointrinsic reaction coordinate(IRC)method with 4-31G basis set.Our results indicate that the ∠H_1NO changes arastically in the vicinity of the transition state while the other bo-nd angles and bond lengths change little throughout the reaction process.
The inversion reaction of hydroxylamine was investigated by using the ab initiointrinsic reaction coordinate (IRC) method with 4-31G basis set. Our results indicate that the ∠H_1NO changes arastically in the vicinity of the transition state while the other bo-nd angles and bond lengths change little throughout the reaction process.