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| 受限于单壁碳纳米管中水分子结构、能量以及振动频率的密度泛函研究 期刊论文
2014
王新华; 冯莉; 曹泽星
  收藏 | 浏览/下载：4/0 | 提交时间：2016/05/17
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| Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach 期刊论文
http://dx.doi.org/10.1063/1.4867273, 2014
Ma, HuiLi; Zhao, Yi; Liang, WanZhen; 赵仪; 梁万珍
收藏 | 浏览/下载：5/0 | 提交时间：2015/07/22
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| Binding interaction and raman spectra of p-π conjugated molecules containing CH2/NH2 groups adsorbed on silver surfaces: A DFT study of wagging modes 期刊论文
http://dx.doi.org/10.1021/jp4042777, 2013
Tao, Sha; Yu, Li-Juan; Pang, Ran; Huang, Yi-Fan; 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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| 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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| 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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| 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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| Time-Dependent Approach to Resonance Raman Spectra Including Duschinsky Rotation and Herzberg-Teller Effects: Formalism and Its Realistic Applications 期刊论文
http://dx.doi.org/10.1021/ct300640c, 2012
Ma, Huili; Liu, Jie; Liang, WanZhen; 梁万珍
收藏 | 浏览/下载：4/0 | 提交时间：2015/07/22
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| 无辐射跃迁理论进展(英文) 期刊论文
2012
牛英利; 林至闓; 杨玲; 于建国; 何荣幸; 庞然; 朱超原; 林倫年; 林聖賢
收藏 | 浏览/下载：11/0 | 提交时间：2016/05/17
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| Photon-driven charge transfer and Herzberg-Teller vibronic coupling mechanism in surface-enhanced Raman scattering of p-aminothiophenol adsorbed on coinage metal surfaces: A density functional theory study 期刊论文
2011
Zhao, Liu-Bin; Huang, Rong; Huang, Yi-Fan; Wu, De-Yin; 吴德印; Ren, Bin; 任斌; Tian, Zhong-Qun; 田中群
收藏 | 浏览/下载：7/0 | 提交时间：2012/02/23 |
