Baird’s Rule in Substituted Fulvene Derivatives: An Information-Theoretic Study on Triplet-State Aromaticity and Antiaromaticity-Reference-Cited by-同舟云学术

Baird’s Rule in Substituted Fulvene Derivatives: An Information-Theoretic Study on Triplet-State Aromaticity and Antiaromaticity

Published:2018-12-26 Issue:12 Volume:3 Page:18370-18379
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Yu Donghai¹²^ORCID,Rong Chunying¹,Lu Tian³,De Proft Frank²,Liu Shubin⁴^ORCID

Affiliation:

1. Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China), College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha 410081, China

2. Research Group of General Chemistry (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium

3. Beijing Kein Research Center for Natural Sciences, Beijing 100022, China

4. Research Computing Center, University of North Carolina, Chapel Hill, North Carolina 27599-3420, United States

Funder

Natural Science Foundation of?Hunan Province

Vrije Universiteit Brussel

Fonds Wetenschappelijk Onderzoek

China Scholarship Council

National Natural Science Foundation of China

Hunan Provincial Innovation Foundation for Postgraduates

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.8b02881

Reference66 articles.

1. Challenges for Density Functional Theory

2. Perspective: Fifty years of density-functional theory in chemical physics

3. Aromaticity from the Viewpoint of Molecular Geometry: Application to Planar Systems

4. Aromaticity: what does it mean?

5. Challenges in aromaticity: 150 years after Kekulé's benzene

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