Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspective.

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第一作者： Al Mokhtar,Lamsabhi

第一单位： Departamento De Química C-13, Universidad Autónoma De Madrid, Cantoblanco, 28049, Spain, Madrid.

作者： Al Mokhtar,Lamsabhi ^[1] ; Soledad,Gutiérrez-Oliva ^[2] ; Otilia,Mó ^[1] ; Alejandro,Toro-Labbé ^[2] ; Manuel,Yáñez ^[1]

作者单位： Departamento De Química C-13, Universidad Autónoma De Madrid, Cantoblanco, 28049, Spain, Madrid. ^[1] Facultad De Química, Nucleus Millennium Chemical Processes and Catalysis (CPC), Laboratorio De Química Teórica Computacional (QTC), Pontificia Universidad Católica De Chile, Santiago, Chile. ^[2]

关键词 acidity and basicity density functional theory (DFT)electronic reaction flux hydrogen transfer tautomerism uracil

主题词电子(Electrons);离子(Ions);量子论(Quantum Theory);尿嘧啶(Uracil)

DOI 10.1002/jcc.24054

PMID 26285048

发布时间 2015-09-29

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