Electronic structure-based rate rules for ipso addition-elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH3/OCH3/CHO/C2H5 substituents: a systematic theoretical investigation.

Pratali Maffei, Luna; Faravelli, Tiziano; Cavallotti, Carlo; Pelucchi, Matteo

Electronic structure-based rate rules for ipso addition-elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH₃/OCH₃/CHO/C₂H₅ substituents: a systematic theoretical investigation.

Pratali Maffei, Luna; Faravelli, Tiziano; Cavallotti, Carlo; Pelucchi, Matteo.

Afiliación

Pratali Maffei L; CRECK Modelling Lab, Department of Chemistry, Materials and Chemical Engineering "G. Natta", Politecnico di Milano, P.zza Leonardo da Vinci 32, 20133 Milano, Italy. matteo.pelucchi@polimi.it.
Faravelli T; CRECK Modelling Lab, Department of Chemistry, Materials and Chemical Engineering "G. Natta", Politecnico di Milano, P.zza Leonardo da Vinci 32, 20133 Milano, Italy. matteo.pelucchi@polimi.it.
Cavallotti C; CRECK Modelling Lab, Department of Chemistry, Materials and Chemical Engineering "G. Natta", Politecnico di Milano, P.zza Leonardo da Vinci 32, 20133 Milano, Italy. matteo.pelucchi@polimi.it.
Pelucchi M; CRECK Modelling Lab, Department of Chemistry, Materials and Chemical Engineering "G. Natta", Politecnico di Milano, P.zza Leonardo da Vinci 32, 20133 Milano, Italy. matteo.pelucchi@polimi.it.

Phys Chem Chem Phys ; 22(36): 20368-20387, 2020 Sep 23.

Article en En | MEDLINE | ID: mdl-32901626

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Italia Pais de publicación: Reino Unido

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