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Performance of density functional theory on the anisotropic halogen center dot center dot center dot halogen interactions and potential energy surface: Problems and possible solutions 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2016, 卷号: 116, 期号: 9, 页码: 710-717
作者:  Liu, Fang;  Du, Likai;  Zhang, Dongju;  Gao, Jun
收藏  |  浏览/下载:200/0  |  提交时间:2016/07/12
Potential Energy Surface  Halogen Center Dot Center Dot Center Dot Halogen Interactions  Density Functional Theory  Anisotropic Distortion  Benchmark Studies  
DFT application in conformational determination of cellobiose 期刊论文
CARBOHYDRATE RESEARCH, 2015, 卷号: 404, 页码: 117-123
作者:  Yan, Shihai;  Yao, Lishan
Adobe PDF(2188Kb)  |  收藏  |  浏览/下载:409/184  |  提交时间:2015/11/02
Cellobiose  Chemical Shift  Dft  Potential Energy Surface  Dihedral Angle