Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance?

Author:

Gu Junjing1,Wu Wei1ORCID,Stuyver Thijs23ORCID,Danovich David2,Hoffmann Roald4ORCID,Tsuji Yuta5ORCID,Shaik Sason2ORCID

Affiliation:

1. State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China

2. Department of Organic Chemistry and the Lise Meitner-Minerva Centre for Computational Quantum Chemistry, The Hebrew University, Jerusalem 91904, Israel

3. Algemene Chemie, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussels, Belgium

4. Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, New York 14853, United States

5. Institute for Materials Chemistry and Engineering and IRCCS, Kyushu University, Nishi-ku, Fukuoka 819-0395, Japan

Funder

National Natural Science Foundation of China

Xiamen University

Japan Society for the Promotion of Science

Israel Science Foundation

Fonds Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

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