DFT study of the conformation, hydrogen bonds, IR, Raman, and NMR spectra of 1,3-disubstituted p-tert-butylthiacalix[4]arenes.

Furer, Victor L; Vandyukov, Alexandr E; Ovsyannikov, Alexandr S; Solovieva, Svetlana E; Antipin, Igor S.

Afiliação

Furer VL; Kazan State Architect and Civil Engineering University, 1 Zelenaya, 420043, Kazan, Russia. furer@kgasu.ru.
Vandyukov AE; Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences, 8 Arbuzov Str, 420088, Kazan, Russia.
Ovsyannikov AS; Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences, 8 Arbuzov Str, 420088, Kazan, Russia.
Solovieva SE; Kazan Federal University RU, Kremlyovskaya Str, 420008, Kazan, Russia.
Antipin IS; Kazan Federal University RU, Kremlyovskaya Str, 420008, Kazan, Russia.

J Mol Model ; 29(4): 97, 2023 Mar 15.

Article em En | MEDLINE | ID: mdl-36920568