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An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2 期刊论文
2016, 卷号: 18, 页码: 29825-29835
作者:  Li, Jun[1,2];  Dawes, Richard[3];  Guo, Hua[2]
收藏  |  浏览/下载:2/0  |  提交时间:2019/11/28
An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of HO. 期刊论文
2016, 卷号: 18
作者:  Li, Jun[1];  Dawes, Richard;  Guo, Hua
收藏  |  浏览/下载:2/0  |  提交时间:2019/11/29
Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations 期刊论文
2015, 卷号: 143
作者:  Yu, Hua-Gen[1];  Ndengue, Steve[2];  Li, Jun[3,4];  Dawes, Richard[2];  Guo, Hua[3]
收藏  |  浏览/下载:2/0  |  提交时间:2019/11/30
From ab initio potential energy surfaces to state-resolved reactivities: X + H2O HX + OH [X = F, Cl, and O(3P)] reactions 期刊论文
2015, 卷号: 119, 页码: 4667-4687
作者:  Li, Jun[1,2];  Jiang, Bin[1];  Song, Hongwei[1];  Ma, Jianyi[3];  Zhao, Bin[1]
收藏  |  浏览/下载:6/0  |  提交时间:2019/11/30
From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H2O HX plus OH [X = F, Cl, and O(P-3)] Reactions 期刊论文
2015, 卷号: 119, 页码: 4667-4687
作者:  Li, Jun[1,2];  Jiang, Bin[1];  Song, Hongwei[1];  Ma, Jianyi[3];  Zhao, Bin[1]
收藏  |  浏览/下载:1/0  |  提交时间:2019/11/30


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