Exploring Intra- and Intermolecular Interactions in Selected <i>N</i>-Oxides-The Role of Hydrogen Bonds.

Jezierska, Aneta; Panek, Jaroslaw J; Blaziak, Kacper; Raczynski, Kamil; Koll, Aleksander

Exploring Intra- and Intermolecular Interactions in Selected N-Oxides-The Role of Hydrogen Bonds.

Jezierska, Aneta; Panek, Jaroslaw J; Blaziak, Kacper; Raczynski, Kamil; Koll, Aleksander.

Afiliação

Jezierska A; Faculty of Chemistry, University of Wroclaw, ul. F. Joliot-Curie 14, 50-383 Wroclaw, Poland.
Panek JJ; Faculty of Chemistry, University of Wroclaw, ul. F. Joliot-Curie 14, 50-383 Wroclaw, Poland.
Blaziak K; Faculty of Chemistry, University of Warsaw, ul. Pasteura 1, 01-224 Warsaw, Poland.
Raczynski K; Biological and Chemical Research Center, University of Warsaw, Zwirki i Wigury 101, 01-224 Warsaw, Poland.
Koll A; Faculty of Chemistry, University of Wroclaw, ul. F. Joliot-Curie 14, 50-383 Wroclaw, Poland.

Molecules ; 27(3)2022 Jan 25.

Article em En | MEDLINE | ID: mdl-35164056

Palavras-chave

DFT; Fukui functions; IEF-PCM; N-oxides; NBO; SAPT; TD-DFT; microsolvation

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Polônia

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