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| 烯丙基类不对称醚异构化反应机理的理论研究 期刊论文 2013 王红; 何桥; 谭凯 收藏  |  浏览/下载:5/0  |  提交时间:2016/05/17
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| p-π共轭分子的氨基面外弯曲振动模的拉曼光谱 期刊论文 2013 陶莎; 于利娟; 吴德印; 田中群 收藏  |  浏览/下载:6/0  |  提交时间:2016/05/17
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| 取代基效应对褐煤模型化合物离解焓影响的理论研究 期刊论文 2013 王新华; 冯莉; 曹泽星; 刘祥春; 汤海燕; 张曼 收藏  |  浏览/下载:3/0  |  提交时间:2016/05/17
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| Anatase type extra-framework titanium in TS-1: A vital factor influencing the catalytic activity toward styrene epoxidation 期刊论文 http://dx.doi.org/10.1016/j.apcata.2013.03.013, 2013 Liu, Cheng; Huang, Jiale; Sun, Daohua; Zhou, Yao; Jing, Xiaolian; Du, Mingming; Wang, Haitao; Li, Qingbiao; 黄加乐; 孙道华; 景孝廉; 李清彪 收藏  |  浏览/下载:4/0  |  提交时间:2015/07/22
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| Solvent Effect and Hydrogen Bond Interaction on Tautomerism, Vibrational Frequencies, and Raman Spectra of Guanine: A Density Functional Theoretical Study 期刊论文 http://dx.doi.org/10.1021/jp401070m, 2013 Yu, Li-Juan; Pang, Ran; Tao, Sha; Yang, Hong-Tao; Wu, De-Yin; Tian, Zhong-Qun; 吴德印; 田中群 收藏  |  浏览/下载:7/0  |  提交时间:2015/07/22
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| Raman Spectra of Amino Wagging Vibrational Modes in p-pi-Conjugated Molecules 期刊论文 http://dx.doi.org/10.3866/PKU.WHXB201306032, 2013 Tao Sha; Yu Li-Juan; Wu De-Yin; Tian Zhong-Qun; 吴德印; 田中群 收藏  |  浏览/下载:2/0  |  提交时间:2015/07/22
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| ABSORPTION SPECTRA OF NUCLEIC ACID BASES IN WATER ENVIRONMENT: INSIGHTS INTO FROM COMBINED QM/MM AND CLUSTER-CONTINUUM MODEL CALCULATIONS 期刊论文 http://dx.doi.org/10.1142/S0219633613410137, 2013 Zhao, Yuan; Cao, Zexing; 曹泽星 收藏  |  浏览/下载:6/0  |  提交时间:2015/07/22
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| Theoretical Insights into Intermolecular Hydrogen-Bonding Strengthening in Fluorenone-Methanol Complexes Induced by Electronic Excitation and Bulk Solvent Effect 期刊论文 http://dx.doi.org/10.1063/1674-0068/26/06/617-626, 2013 Sun, Chao; Liu, Jie; Liang, Wan-zhen; Zhao, Yi; 刘婕; 梁万珍; 赵仪 收藏  |  浏览/下载:5/0  |  提交时间:2015/07/22
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| A Theoretical Study of the Mechanism for Allylic Ether Isomerization 期刊论文 http://dx.doi.org/10.6023/A13680836, 2013 Wang Hong; He Qiao; Tan Kai; 王红; 谭凯 收藏  |  浏览/下载:4/0  |  提交时间:2015/07/22
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| Theoretical Study of Substituent Effects on Bond Dissociation Enthalpies in Lignite Model Compounds 期刊论文 http://dx.doi.org/10.6023/A13030318, 2013 Wang Xinhua; Feng Li; Cao Zexing; Liu Xiangchun; Tang Haiyan; Zhang Man; 曹泽星 收藏  |  浏览/下载:5/0  |  提交时间:2015/07/22
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