Hydration and swelling: a theoretical investigation on the cooperativity effect of H-bonding interactions between p-hydroxy hydroxymethyl calix[4]/[5]arene and H<sub>2</sub>O by many-body interaction and density functional reactivity theory.

Gong, Hui-Ru; Ren, Fu-de; Zhao, Lin-Xiu; Cao, Duan-Lin; Wang, Jian-Long

Hydration and swelling: a theoretical investigation on the cooperativity effect of H-bonding interactions between p-hydroxy hydroxymethyl calix[4]/[5]arene and H₂O by many-body interaction and density functional reactivity theory.

Gong, Hui-Ru; Ren, Fu-de; Zhao, Lin-Xiu; Cao, Duan-Lin; Wang, Jian-Long.

Afiliação

Gong HR; School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China.
Ren FD; School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China. fdren888@126.com.
Zhao LX; School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China.
Cao DL; School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China.
Wang JL; School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China.

J Mol Model ; 26(7): 190, 2020 Jul 01.

Article em En | MEDLINE | ID: mdl-32613574