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对于债券解离能量的值碰撞诱导解离模拟的稳定性

Eno Paenurk1,2, Peter Chen1

  • 1Department of Chemistry and Applied Biosciences, ETH Zürich, Zürich 8093, Switzerland.

The journal of physical chemistry. A
|December 29, 2023
PubMed
概括

值碰撞诱导解离 (T-CID) 方法提供可靠的气相键解离能 (BDE) 测量. 模拟表明,BDE值是稳定的,即使有故意的错误,证实实验数据的准确性.

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