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- W2347510040 abstract "The reaction mechanism of phenylamine reacting with 1,4-butanediol to give N-phenylpyrrolidine was investigated with traditional transition state theory. Based on the experi-mental results, two reaction channels were discussed. The geometries of their reactants, products, intermediates and transition states were optimized. The possible transition state and activation energy were determined by vibrational analysis and IRC verification. And finally, the main reaction channel was given." @default.
- W2347510040 created "2016-06-24" @default.
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- W2347510040 date "2008-01-01" @default.
- W2347510040 modified "2023-09-25" @default.
- W2347510040 title "Theoretical Studies on the N-Phenylpyrrolidine Formation Mechanism Based on the Reaction of Phenylamine with 1,4-Butanediol" @default.
- W2347510040 hasPublicationYear "2008" @default.
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