Affiliation:
1. Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, 166 10 Prague, Czech Republic
Abstract
The Non-Covalent Interactions Atlas database (https://www.nciatlas.org) has been extended to σ-hole interactions – halogen, chalcogen and pnictogen bonds. The CCSD(T)/CBS benchmark is used for testing wide range DFT and semiempirical QM methods.
Funder
Grantová Agentura České Republiky
European Regional Development Fund
Ministerstvo Školství, Mládeže a Tělovýchovy
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Cited by
34 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献