云南高校图书馆联盟文献共享服务平台- HNCO

HNCO: 作品数：38被引量：154H指数：8; 导出分析报告; 相关领域：理学更多>>; 相关作者：李来才吕洪坤田安民尚静王俊敏更多>>; 相关机构：四川师范大学北京师范大学河北师范大学浙江大学更多>>; 相关期刊：《Science China Chemistry》《郑州大学学报（理学版）》《石油化工应用》《四川师范大学学报（自然科学版）》更多>>; 相关基金：国家自然科学基金四川省自然科学基金四川省青年科技基金国家重点基础研究发展计划更多>>

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期刊=Chinese Journal of Structural Chemistry

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Theoretical Research on the Multi-channel Reaction Mechanism of CHF Radical with HNCO by Density Functional Theory: 《Chinese Journal of Structural Chemistry》2015年第8期1151-1160,共10页HAN Yan-Xia KONG Chao HOU Li-Jie WU Bo-Wan CHEN Dong-Ping GAO Li-Guo; supported by the Natural Science Foundation of Gansu Province(No.1208RJZM289); The reaction mechanism of CHF radical with HNCO was investigated by the B3LYP method of density functional theory （DFT）, while the geometries and harmonic vibration frequencies of reactants, intermediates, transitio...; 关键词：CHF radical isocyanic acid mechanism equilibrium constant rate constant

A Theoretical Study on the Hydrogen-bonded Dimers of HNCO Molecules: 《Chinese Journal of Structural Chemistry》1994年第4期312-315,共4页Wang Yan Feng Wen-Lin Zhang Shao-Wen Zhu Wei-Xin(Chemistry Department, Beijing Normal University, Beijing 100875); Ab initio method has been employed to investigate the hydrogenbond between two HNCO molecules. Two types of hydrogen-bondings in HNCO dimers have been found, one type is N-H…O, the other is N-H…N. The latter is a li...; 关键词：HNCO HYDROGEN-BOND ab initio method

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