电邮这篇文章 Cyclophanes: Simulation of the formation enthalpy by quantum-chemical methods
- 作者: Zauer E.1
-
隶属关系:
- Volgograd State Technical University
- 期: 卷 87, 编号 5 (2017)
- 页面: 918-922
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/219660
- DOI: https://doi.org/10.1134/S1070363217050048
- ID: 219660
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详细
Comparison of experimental values of gas-phase formation enthalpy of cyclophanes with the results of semiempirical quantum-chemical simulation has revealed good linear correlation with the PM-3 data. Using the derived equation, formation enthalpies of 30 cyclophanes have been predicted.
作者简介
E. Zauer
Volgograd State Technical University
编辑信件的主要联系方式.
Email: zea@vstu.ru
俄罗斯联邦, pr. Lenina 28, Volgograd, 400131
