Halogen bonds and other noncovalent interactions in the crystal structures of trans-1,2-diiodo alkenes: an ab initio and QTAIM study.

Yuan, Yongna; Mills, Matthew J L; Li, Fuyang; Du, Yuhong; Wei, Jiaxuan; Su, Wei

Yuan, Yongna; Mills, Matthew J L; Li, Fuyang; Du, Yuhong; Wei, Jiaxuan; Su, Wei.

Affiliation

Yuan Y; School of Information Science & Engineering, Lanzhou University, No.222 South Tianshui Road, Lanzhou, 730000, China. yuanyn@lzu.edu.cn.
Mills MJL; 3M Corporate Research Analytical Laboratory, Saint Paul, MN, 55114, USA.
Li F; School of Information Science & Engineering, Lanzhou University, No.222 South Tianshui Road, Lanzhou, 730000, China.
Du Y; School of Information Science & Engineering, Lanzhou University, No.222 South Tianshui Road, Lanzhou, 730000, China.
Wei J; School of Information Science & Engineering, Lanzhou University, No.222 South Tianshui Road, Lanzhou, 730000, China.
Su W; School of Information Science & Engineering, Lanzhou University, No.222 South Tianshui Road, Lanzhou, 730000, China.

J Mol Model ; 26(11): 331, 2020 Nov 04.

Article de En | MEDLINE | ID: mdl-33150494

Mots clés

Halogen bonding; Noncovalent interaction; Quantum theory of atoms in molecules; Topological properties; ab initio calculation

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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Langue: En Journal: J Mol Model Sujet du journal: BIOLOGIA MOLECULAR Année: 2020 Type de document: Article Pays d'affiliation: Chine Pays de publication: Allemagne

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