Cyclophanes: Simulation of the Formation Enthalpy by Quantum-Chemical Methods

Zauer E. A.

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Cyclophanes: Simulation of the Formation Enthalpy by Quantum-Chemical Methods

机译：环烷：量子化学方法模拟形成焓

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摘要

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.

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来源
《Russian Journal of General Chemistry》 |2017年第5期|共5页
作者
Zauer E. A.;
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作者单位

Volgograd State Tech Univ Pr Lenina 28 Volgograd 400131 Russia;

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原文格式 PDF
正文语种 eng
中图分类化学;
关键词
cyclophane; formation enthalpy; semiempirical quantum-chemical simulation;

机译：环烷;形成焓;半透明量子化学模拟;

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Cyclophanes: Simulation of the Formation Enthalpy by Quantum-Chemical Methods

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