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Abstract <p>The geometry, energy, and nuclear independent chemical shifts (NICS) for benzene, borazine, hexasilabenzene, and hexagonal six-membered (BeO)<sub>3</sub>, (MgO)<sub>3</sub>, (HF)<sub>3</sub> and (LiF)<sub>3</sub> clusters, that is, along and across the Periodic Table of Elements, were calculated at the MP2/cc-pVTZ, MP2/aug-cc-pVTZ, and CCSD(T)/cc-pVTZ level of theory.</p>

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Aromaticity Along and Across the Periodic Table of Elements

  • 期刊论文

  • 发表日期：

    2025年6月1日

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  • B. A. Shainyan

摘要

Abstract

The geometry, energy, and nuclear independent chemical shifts (NICS) for benzene, borazine, hexasilabenzene, and hexagonal six-membered (BeO)3, (MgO)3, (HF)3 and (LiF)3 clusters, that is, along and across the Periodic Table of Elements, were calculated at the MP2/cc-pVTZ, MP2/aug-cc-pVTZ, and CCSD(T)/cc-pVTZ level of theory.