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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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| Stabilization of anti-aromatic and strained five-membered rings with a transition metal 期刊论文
2013
Congqing Zhu; 朱从青; Shunhua Li; 李顺华; Ming Luo; 罗明; Xiaoxi Zhou; 周小茜; Yufen Niu; 牛玉芬; Minglian Lin; 林铭炼; Jun Zhu; 朱军; Zexing Cao; 曹泽星; Xin Lu; 吕鑫; Tingbin Wen; 温庭斌; Zhaoxiong Xie; 谢兆雄; Paul v.R.Schleyer; Haiping Xia; 夏海平
收藏 | 浏览/下载：4/0 | 提交时间：2013/06/28
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| Probing Hydrogen Bond Energies by Mass Spectrometry 期刊论文
2013
Hai-Feng Su; 苏海峰; Lan Xue(Ningde Normal Univ, Dept Chem); Yun-Hua Li; 李云华; Shui-Chao Lin; 林水潮; Yi-Mei Wen; Rong-Bin Huang; 黄荣彬; Su-Yuan Xie; 谢素原; Lan-Sun Zheng; 郑兰荪
收藏 | 浏览/下载：2/0 | 提交时间：2013/07/19
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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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| Ab initio nonorthogonal valence bond methods 期刊论文
http://dx.doi.org/10.1002/wcms.1105, 2013
Su, Peifeng; Wu, Wei; 苏培峰; 吴玮
收藏 | 浏览/下载：2/0 | 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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| THE MECHANISM OF ACID-CATALYZED DECARBOXYLATION OF PYRROLE-2-CARBOXYLIC ACID: INSIGHTS FROM CLUSTER-CONTINUUM MODEL CALCULATIONS 期刊论文
http://dx.doi.org/10.1142/S021963361350017X, 2013
Liang, Jinxia; Wang, Binju; Cao, Zexing; 曹泽星
收藏 | 浏览/下载：3/0 | 提交时间：2015/07/22
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| Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(η5- C5H5) and p-G-C6H4SFe(CO) 2(η5-C5H5) studied using Hartree-Fock and density functional theory methods 期刊论文
http://dx.doi.org/10.1002/poc.3152, 2013
Zeng, Qi; Li, Zucheng; Dong, Ling; Han, Daxiong; Wang, Rufeng; Li, Xiangri; Bai, Genben; 韩大雄
收藏 | 浏览/下载：5/0 | 提交时间：2015/07/22
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