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Electronically quenching through conical intersections in the OH(A2Σ+) + H2 reaction 会议论文
International Symposium on Theoretical and Computational Chemistry–2010:High Performance Computing Simulations, 中国, 2010-12-05
韩克利
收藏  |  浏览/下载:13/0  |  提交时间:2011/07/11
Quantum Chemistry ab initio Calculation Study of Structure and Raman Spectra of Aluminosilicates 会议论文
XXII INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY, 2010-01-01
作者:  You Jinglin[1];  Wang Yuanyuan[2];  Jiang Guochang[3];  Xie Jun[4];  Yu Xuehui[5]
收藏  |  浏览/下载:3/0  |  提交时间:2019/04/30
Theoretical study of F+CH4-->CH3+HF reaction:global potential energy surface,thermal rate constants and quantum dynamics calculation 会议论文
summary of the chinese academy of sciences advanced symposium on theoretical and computational chemistry, 中国, 2004-08-15
张鑫; 杨传路; 韩克利
收藏  |  浏览/下载:11/0  |  提交时间:2011/07/11
Structure-nonlinearity relationship of urea crystal: an ab initio study 会议论文
8th IUMRS International Conference on Electronic Materials (IUMRS/ICEM), JUN 10-14, 2002
作者:  Xue, D;  Kitamura, K;  Wang, JY
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/31


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