Proton transfer from 1,4-pentadiene to superoxide radical anion , a QTAIM analysis

Nosotros estudiamos la reaccin̤ de transferencia de protn̤ bis-all̕ico del 1,4-pentadieno al radical anin̤ superx̤ido (O2). Las geometra̕s de los mn̕imos y de los estados de transicin̤, as ̕como tambiň los parm̀etros termoqum̕icos se calcularon usando el nivel de teora̕ B3LYP/6-311+G(3df,2p). Las f...

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Bibliographic Details
Other Authors:	Rodrg̕uez-Serrano ℓngela, Daza Martha C., Doerr Markus, Villaveces Jos ̌Luis, Universidad Nacional de Colombia. Facultad de Ciencias. Departamento de Qum̕ica
Format:	Book
Language:	English
Subjects:	Qum̕ica inorgǹica Fisicoqum̕ica Reacciones qum̕icas Mecanismos de reaccin̤ qum̕ica Chemistry inorganic Chemistry physical and theoretical Chemical reactions Reaction mechanisms (Chemistry) Radical anin̤ superx̤ido Teora̕ del funcional de la densidad QTAIM Mecanismos de reaccin̤ Transferencia de protn̤ 1,4-pentadieno Superoxide radical anion Density functional theory Reaction mechanism Proton transfer 1,4-pentadiene
Online Access:	Proton transfer from 1,4-pentadiene to superoxide radical anion , a QTAIM analysis
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Proton transfer from 1,4-pentadiene to superoxide radical anion , a QTAIM analysis

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