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Updated: Feb 17, 2026

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
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有机激素的精确平衡结构可以通过局部相关性增强的Pisa复合方案获得

Luigi Crisci1, Federico Lazzari1, Vincenzo Barone2

  • 1Scuola Superiore Meridionale, Largo San Marcellino 10, 80138 Napoli, Italy.

The journal of physical chemistry letters
|February 16, 2026
PubMed
概括

对有机基来说,准确的平衡结构至关重要,但很难获得. 一个使用与对自然轨道 (PNO) 进行局部相关的新量子化学协议为多种根系系统提供了高度准确的几何结构.

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