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Updated: Jan 12, 2026

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
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和弱结合的碳中单元-三元差距:研究对交换相关函数的依赖性

Pablo Maiz-Pastor1, Éric Brémond2, Ángel José Pérez-Jiménez1

  • 1Department of Physical Chemistry, University of Alicante, E-03080 Alicante, Spain.

ACS omega
|November 3, 2025
PubMed
概括

密度函数近似显示了计算碳素单元-三元差距的意想不到性能. 简单的函数比复杂的函数性能更好,但为了准确性,建议使用双混合函数.

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