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Efficient Synthesis of Polyfunctionalized Benzenes in Water via Persulfate-promoted Benzannulation of α,β-Unsaturated Compounds and Alkynes
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Efficient Synthesis of Polyfunctionalized Benzenes in Water via Persulfate-promoted Benzannulation of α,β-Unsaturated Compounds and Alkynes

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A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives:

Julio C V Chagas1, Bruno D Milanez1, Vytor P Oliveira1

  • 1Department of Chemistry, Aeronautics Institute of Technology, São José dos Campos, São Paulo, Brazil.

Journal of Computational Chemistry
|December 28, 2023
PubMed

Keywords:
electron localization functionlocal vibrational modesmultireference methodsnucleus‐independent chemical shifts

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