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磁性诱导的电流密度易感性 环形[n]冠状体

Qian Wang1, Stefan Taubert1, Dage Sundholm1

  • 1Department of Chemistry, Faculty of Science, University of Helsinki, P.O. Box 55, A. I. Virtasen aukio 1, Helsinki FIN-00014, Finland.

The journal of physical chemistry. A
|January 4, 2025
PubMed
概括

磁诱导电流密度 (MICD) 的计算揭示了冠状分子中的全球环电流. 伪π模型准确地预测了交替电流模式和较大的分子中克拉尔环的缺失.

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