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Updated: May 16, 2025

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对于Möbius碳纳米带的简单的Hückel分子轨道理论

Yang Wang1

  • 1School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, Jiangsu 225002, China.

The journal of physical chemistry. A
|May 5, 2025
PubMed
概括

简单的Hückel分子轨道理论准确地描述了Möbius碳纳米带 (CNB) 的电子结构. 这种方法提供了可靠的预测,与这些独特的 π 结合系统的先进计算结果相美.

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