CORC

在结果中检索

CORC

浏览/检索结果: 共35条，第1-10条 帮助

限定条件                
已选(0)清除 条数/页：   排序方式：
Energy Decomposition Scheme Based on the Generalized Kohn-Sham Scheme 期刊论文
http://dx.doi.org/10.1021/jp500405s, 2014
Su, Peifeng; Jiang, Zhen; Chen, Zuochang; Wu, Wei; 苏培峰; 吴玮
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
Charge-Shift Bonding Emerges as a Distinct Electron-Pair Bonding Family from Both Valence Bond and Molecular Orbital Theories 期刊论文
http://dx.doi.org/10.1021/ct500367s, 2014
Zhang, Huaiyu; Danovich, David; Wu, Wei; Braida, Benoit; Hiberty, Philippe C.; Shaik, Sason; 吴玮
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
Temperature-dependent mechanical properties of alpha-/beta-Nb5Si3 phases from first-principles calculations 期刊论文
http://dx.doi.org/10.1016/j.intermet.2013.10.027, 2014
Xu, Weiwei; Han, Jiajia; Wang, Cuiping; Zhou, Yi; Wang, Yi; Kang, Yongwang; Wen, Bin; Liu, Xingjun; Liu, Zi-Kui; 王翠萍; 刘兴军
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Temperature-dependent mechanical properties of alpha-/beta-Nb 5Si3 phases from first-principles calculations 期刊论文
http://dx.doi.org/10.1016/j.intermet.2013.10.027, 2014
Xu, Weiwei; Han, Jiajia; Wang, Cuiping; Zhou, Yi; Wang, Yi; Kang, Yongwang; Wen, Bin; Liu, Xingjun; Liu, Zi-Kui; 王翠萍; 刘兴军
收藏  |  浏览/下载：3/0  |  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
Structural and Charge Sensitivity of Surface-Enhanced Raman Spectroscopy of Adenine on Silver Surface: A Quantum Chemical Study 期刊论文
http://dx.doi.org/10.1021/jp407615r, 2013
Huang, Rong; Yang, Hong-Tao; Cui, Li; Wu, De-Yin; Ren, Bin; Tian, Zhong-Qun; 吴德印; 任斌; 田中群
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
First-principles investigation of electronic, mechanical and thermodynamic properties of L12 ordered Co3(M, W) (M = Al, Ge, Ga) phases 期刊论文
http://dx.doi.org/10.1016/j.actamat.2013.05.032, 2013
Xu, W.W.; Han, J.J.; Wang, Y.; Wang, C.P.; Liu, X.J.; Liu, Z.-K; 王翠萍; 刘兴军
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
First-principles investigation of electronic, mechanical and thermodynamic properties of L1(2) ordered Co-3(M, W) (M = Al, Ge, Ga) phases 期刊论文
http://dx.doi.org/10.1016/j.actamat.2013.05.032, 2013
Xu, W. W.; Han, J. J.; Wang, Y.; Wang, C. P.; Liu, X. J.; Liu, Z. -K.; 王翠萍; 刘兴军
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Strength and bonding nature of superhard Z-carbon from first-principle study 期刊论文
2012
Qin, Jiaqian; Hou, Zhufeng; 候柱锋; Zhang, Xinyu
收藏  |  浏览/下载：3/0  |  提交时间：2013/03/25
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