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Theoretical determination of a reaction intermediate: Fukui function analysis, dual reactivity descriptor and activation energy

P.P. Zamora,K. Bieger,A. Cuchillo,A. Tello,J.P. Muena

Journal of Molecular Structure（2021）

Cited 59|Views7
Key words
Phosphorus heterocyles,Dft,Negative fukui-function,Activation energy,Dual reactivity descriptor
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