Nuclear Spin-Spin Couplings: Efficient Evaluation of Exact Exchange and Extension to Local Hybrid Functionals.

Mack, Fabian; Schattenberg, Caspar J; Kaupp, Martin; Weigend, Florian

Mack, Fabian; Schattenberg, Caspar J; Kaupp, Martin; Weigend, Florian.

Afiliação

Mack F; Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Kaiserstraße 12, 76131 Karlsruhe, Germany.
Schattenberg CJ; Institut für Chemie, Theoretische Chemie/Quantenchemie, Technische Universität Berlin, Sekr. C7, Straße des 17. Juni 135, 10623 Berlin, Germany.
Kaupp M; Institut für Chemie, Theoretische Chemie/Quantenchemie, Technische Universität Berlin, Sekr. C7, Straße des 17. Juni 135, 10623 Berlin, Germany.
Weigend F; Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany.

J Phys Chem A ; 124(41): 8529-8539, 2020 Oct 15.

Article em En | MEDLINE | ID: mdl-32955886

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Alemanha País de publicação: Estados Unidos

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