A New Basis Set for the Calculation of <sup>13</sup>C NMR Chemical Shifts within a Non-empirical Correlated Framework.

Rusakov, Yuriy Yu; Rusakova, Irina L; Semenov, Valentin A; Krivdin, Leonid B

A New Basis Set for the Calculation of ¹³C NMR Chemical Shifts within a Non-empirical Correlated Framework.

Rusakov, Yuriy Yu; Rusakova, Irina L; Semenov, Valentin A; Krivdin, Leonid B.

Afiliação

Rusakov YY; A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russian Federation.
Rusakova IL; A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russian Federation.
Semenov VA; A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russian Federation.
Krivdin LB; A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russian Federation.

J Phys Chem A ; 124(36): 7322-7330, 2020 Sep 10.

Article em En | MEDLINE | ID: mdl-32786969

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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 publicação: Estados Unidos

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