Experimental and DFT investigation of structure and IR spectra of H-bonded associates of p-(3-carboxy-1-adamantyl)thiacalix[4]arene.

Furer, Victor L; Potapova, Ludmila I; Chachkov, Denis V; Vatsouro, Ivan M; Kovalev, Vladimir V; Shokova, Elvira A; Kovalenko, Valery I

Furer, Victor L; Potapova, Ludmila I; Chachkov, Denis V; Vatsouro, Ivan M; Kovalev, Vladimir V; Shokova, Elvira A; Kovalenko, Valery I.

Afiliação

Furer VL; Kazan State Architect and Civil Engineering University, 1 Zelenaya, 420043, Kazan, Russia. furer@kgasu.ru.
Potapova LI; Kazan State Architect and Civil Engineering University, 1 Zelenaya, 420043, Kazan, Russia.
Chachkov DV; Kazan Department of Joint Supercomputer Center of Russian Academy of Sciences, Branch of Federal Scientific Center"Scientific Research Institute for System Analysis of the RAS", 2/31 Lobachevski Str, 4200111, Kazan, Russia.
Vatsouro IM; Department of Chemistry, Moscow State University, 1-3 Lenin's Hills, 119991, Moscow, Russia.
Kovalev VV; Department of Chemistry, Moscow State University, 1-3 Lenin's Hills, 119991, Moscow, Russia.
Shokova EA; Department of Chemistry, Moscow State University, 1-3 Lenin's Hills, 119991, Moscow, Russia.
Kovalenko VI; A.E. Arbuzov Institute of Organic and Physical Chemistry, RAS, 8 Arbuzov Str, 420088, Kazan, Russia. koval@iopc.ru.

J Mol Model ; 27(5): 135, 2021 Apr 26.

Article em En | MEDLINE | ID: mdl-33903984

Palavras-chave

Calixarenes; DFT; Hydrogen bonding; IR spectra; Normal vibrations

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Risk_factors_studies Idioma: En Revista: J Mol Model Ano de publicação: 2021 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google