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Updated: Jun 19, 2025

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碎片对齐分子轨道分析:用于分析非典型化学结合的创新工具

Fu Kit Sheong1, Jing-Xuan Zhang1, Zhenyang Lin1

  • 1Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, P. R. China.

Journal of chemical theory and computation
|July 24, 2024
PubMed
概括

碎片对齐分子轨道 (FAMO) 分析简化了化学研究中的复杂电子结构. 这种新方法减少了轨道混合,揭示了分子中明显的结合相互作用.

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