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Updated: Jun 27, 2025

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
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在p块挑战:评估量子化学方法无机 heterocycle 分解

Thomas Gasevic1, Markus Bursch2,3, Qianli Ma4

  • 1Mulliken Center for Theoretical Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn, Beringstr. 4, 53115 Bonn, Germany. hansen@thch.uni-bonn.de.

Physical chemistry chemical physics : PCCP
|April 25, 2024
PubMed
概括

本研究介绍了IHD302基准集,用于评估p块元素上的计算方法. 它为302种无机提供了高质量的参考数据,有助于开发精确的理论化学工具.

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