CORC

在结果中检索

CORC

浏览/检索结果: 共34条，第1-10条 帮助

限定条件                
已选(0)清除 条数/页：   排序方式：
Molecular properties of excited electronic state: Formalism, implementation, and applications of analytical second energy derivatives within the framework of the time-dependent density functional theory/molecular mechanics 期刊论文
http://dx.doi.org/10.1063/1.4863563, 2014
Zeng, Qiao; Liu, Jie; Liang, WanZhen; 刘婕; 梁万珍
收藏  |  浏览/下载：6/0  |  提交时间：2015/07/22
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
Analytical derivative techniques for TDDFT excited-state properties: Theory and application 期刊论文
http://dx.doi.org/10.1007/s11426-013-5006-6, 2014
Chen DanPing; Liu Jie; Ma HuiLi; Zeng Qiao; Liang WanZhen; 刘婕; 梁万珍
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
A time-dependent density-functional theory and complete active space self-consistent field method study of vibronic absorption and emission spectra of coumarin 期刊论文
http://dx.doi.org/10.1063/1.4885845, 2014
Li, Junfeng; Rinkevicius, Zilvinas; Cao, Zexing; 曹泽星
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Analytical second derivatives of excited-state energy within the time-dependent density functional theory coupled with a conductor-like polarizable continuum model 期刊论文
http://dx.doi.org/10.1063/1.4773397, 2013
Liu, Jie; Liang, WanZhen; 刘婕; 梁万珍
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
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
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
Photosynthetic Bacterial Light-Harvesting Antenna Complexes Adsorbed on Silica Nanoparticles Revealed by Silica Shell-Isolated Au Nanoparticle-Enhanced Raman Spectroscopy 期刊论文
2012
Du, Lu-Chao; Huang, Yi-Fan; Ren, Bin; 任斌; Weng, Yu-Xiang
收藏  |  浏览/下载：4/0  |  提交时间：2013/04/19
Photosynthetic bacterial light-harvesting antenna complexes adsorbed on silica nanoparticles revealed by silica shell-isolated au nanoparticle-enhanced raman spectroscopy 期刊论文
http://dx.doi.org/10.1021/jp211841a, 2012
Du, Lu-Chao; Huang, Yi-Fan; Ren, Bin; Weng, Yu-Xiang; 任斌
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
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

©版权所有 ©2017 CSpace - Powered by CSpace