Global and local aromaticity of acenes from the information-theoretic approach in density functional reactivity theory-Reference-Cited by-同舟云学术

Global and local aromaticity of acenes from the information-theoretic approach in density functional reactivity theory

Published:2019 Issue:33 Volume:21 Page:18195-18210
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yu Donghai¹²³⁴⁵^ORCID,Stuyver Thijs⁶⁷⁸⁹^ORCID,Rong Chunying¹²³⁴⁵,Alonso Mercedes⁶⁷⁸⁹^ORCID,Lu Tian¹⁰¹¹⁵^ORCID,De Proft Frank⁶⁷⁸⁹,Geerlings Paul⁶⁷⁸⁹^ORCID,Liu Shubin¹²¹³¹⁴¹⁵^ORCID

Affiliation:

1. Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China)

2. College of Chemistry and Chemical Engineering

3. Hunan Normal University

4. Changsha

5. China

6. Research Group of General Chemistry (ALGC)

7. Vrije Universiteit Brussel (VUB)

8. 1050 Brussels

9. Belgium

10. Beijing Kein Research Center for Natural Sciences

11. Beijing

12. Research Computing Center

13. University of North Carolina

14. Chapel Hill

15. USA

Abstract

Examining global and local aromaticity for acenes using an information-theoretic approach and aromaticity indices provides a unique perspective for these compounds.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Hunan Province

China Scholarship Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01623F

Reference110 articles.

1. Why Aromaticity Is a Suspicious Concept? Why?