Rotational barrier and thermodynamical parameters of furfural, thiofurfural, and selenofurfural in the gas and solution phases: theoretical study based on density functional theory method

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Rotational barrier and thermodynamical parameters of furfural, thiofurfural, and selenofurfural in the gas and solution phases: theoretical study based on density functional theory method

机译：气相和溶液相中糠醛，硫代糠醛和硒代糠醛的旋转势垒和热力学参数：基于密度泛函理论方法的理论研究

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来源
《Molecular Physics 》 |2008年第1期| p.175-185| 共11页
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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
原文格式 PDF
正文语种 eng
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关键词
furfural; thiofurfural; selenofurfural; DFT; rotational barrier; solvent effect;

机译：糠醛硫代糠醛硒糠醛;DFT;旋转障碍溶剂效应;

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Rotational barrier and thermodynamical parameters of furfural, thiofurfural, and selenofurfural in the gas and solution phases: theoretical study based on density functional theory method

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