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分子系统的电子活动的基础. 债券反应性的理论

Francisca J Benítez1, Soledad Gutiérrez-Oliva1, Bárbara Herrera1

  • 1Laboratorio de Química Teórica Computacional (QTC), Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Avda. Vicuña Mackenna 4860 Macul, Santiago 7820436, Chile.

The journal of physical chemistry. A
|March 4, 2024
PubMed
概括

研究人员发现了分子中的基础电子活性 (BEA),这是振动的非反应性电子效应. 他们引入了债券电子流量 (BEF) 和有效债券反应率指数 (EBR) 来量化这一活动.

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