Fluorine spin-spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels.

Ukhanev, Stepan A; Fedorov, Sergei V; Rusakov, Yuriy Y; Rusakova, Irina L; Krivdin, Leonid B

Ukhanev, Stepan A; Fedorov, Sergei V; Rusakov, Yuriy Y; Rusakova, Irina L; Krivdin, Leonid B.

Afiliação

Ukhanev SA; A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia.
Fedorov SV; A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia.
Rusakov YY; A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia.
Rusakova IL; A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia.
Krivdin LB; A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia.

Magn Reson Chem ; 60(9): 901-914, 2022 09.

Article em En | MEDLINE | ID: mdl-35470458

Assuntos

Carbono; Flúor; Carbono/química; Flúor/química; Solventes

Palavras-chave

CCSD; DFT; HF; SOPPA (CCSD); computational 19F NMR; fluorine spin-spin coupling constants; pentafluorobenzene

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Carbono / Flúor Idioma: En Revista: Magn Reson Chem Assunto da revista: QUIMICA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Federação Russa País de publicação: Reino Unido

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