First-Principles Calculation of <sup>1</sup>H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics.

Castro, Abril C; Balcells, David; Repisky, Michal; Helgaker, Trygve; Cascella, Michele

First-Principles Calculation of ¹H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics.

Castro, Abril C; Balcells, David; Repisky, Michal; Helgaker, Trygve; Cascella, Michele.

Afiliação

Castro AC; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway.
Balcells D; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway.
Repisky M; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT-The Arctic University of Norway, 9037 Tromsø, Norway.
Helgaker T; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway.
Cascella M; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway.

Inorg Chem ; 59(23): 17509-17518, 2020 Dec 07.

Article em En | MEDLINE | ID: mdl-33226791

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Guideline / Prognostic_studies Idioma: En Revista: Inorg Chem Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Noruega País de publicação: Estados Unidos

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