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Investigations of the local structures and the EPR g factors for V4+ and Cr4+ in Bi4Ge3O12 crystals 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 卷号: 959, 期号: 1-3, 页码: 113-116
作者:  Zhang, Zhi-Hong;  Wu, Shao-Yi;  Li, Li-Li
收藏  |  浏览/下载：53/0  |  提交时间：2021/02/02
Electron paramagnetic resonance  V4+  Cr4+  Bi4Ge3O12  
Theoretical studies of the local structures and EPR parameters for various Rh2+ centers in AgCl 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 卷号: 953, 期号: 1-3, 页码: 157-162
作者:  Zhang, Hua-Ming;  Wu, Shao-Yi;  Xu, Pei;  Li, Li-Li
收藏  |  浏览/下载：96/0  |  提交时间：2021/02/02
Crystal-fields and spin Hamiltonians  Electron paramagnetic resonance (EPR)  Rh2+  AgCl  
Investigations on the g factors and superhyperfine parameters for various tetragonal Ni+ centers in RbCaF3 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 卷号: 942, 期号: 1-3, 页码: 104-109
作者:  Zhang, Hua-Ming;  Wu, Shao-Yi;  Li, Li-Li;  Xu, Pei
收藏  |  浏览/下载：83/0  |  提交时间：2021/02/02
Electron paramagnetic resonance  Crystal-fields and spin Hamiltonians  Ni+  RbCaF3  
Investigations on the g factors and superhyperfine parameters for various tetragonal Ni(+) centers in RbCaF(3) 期刊论文
Journal of Molecular Structure-Theochem, 2010, 卷号: 942, 期号: 1-3, 页码: 104-109
作者:  H. M. Zhang;  S. Y. Wu;  L. L. Li;  P. Xu
Adobe PDF(220Kb)  |  收藏  |  浏览/下载：81/0  |  提交时间：2012/04/13
Electron Paramagnetic Resonance  Crystal-fields And Spin Hamiltonians  Ni(+)  Rbcaf(3)  Structural Phase-transition  Atomic Screening Constants  Superposition-model  Scf Functions  Epr  Crystal  Ions  Luminescence  Excitation  Cscaf3  
Investigations of the local structures and the EPR g factors for V(4+) and Cr(4+) in Bi(4)Ge(3)O(12) crystals 期刊论文
Journal of Molecular Structure-Theochem, 2010, 卷号: 959, 期号: 1-3, 页码: 113-116
作者:  Z. H. Zhang;  S. Y. Wu;  L. L. Li
Adobe PDF(191Kb)  |  收藏  |  浏览/下载：91/0  |  提交时间：2012/04/13
Electron Paramagnetic Resonance  v(4+)  Cr(4+)  Bi(4)Ge(3)o(12)  Atomic Screening Constants  Superposition Model  Sillenite Crystals  Single-crystals  Scf Functions  Ions  Parameters  Spectrum  Impurity  Vanadium  
Theoretical studies of the local structures and EPR parameters for various Rh(2+) centers in AgCl 期刊论文
Journal of Molecular Structure-Theochem, 2010, 卷号: 953, 期号: 1-3, 页码: 157-162
作者:  H. M. Zhang;  S. Y. Wu;  P. Xu;  L. L. Li
Adobe PDF(215Kb)  |  收藏  |  浏览/下载：107/0  |  提交时间：2012/04/13
Crystal-fields And Spin Hamiltonians  Electron Paramagnetic Resonance  (Epr)  Rh(2+)  Agcl  Transition-metal Ions  Spin-hamiltonian Parameters  Atomic Screening  Constants  Solution-grown Nacl  Jahn-teller Ions  Spectroscopic  Investigations  Paramagnetic Resonance  Superposition Model  Magnetic-resonance  Crystal-field  
First-principle study of AunFe (n=1-7) clusters 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 卷号: 902, 期号: 1-3, 页码: 54-58
作者:  Die Dong;  Kuang Xiao-Yu;  Guo Jian-Jun;  Zheng Ben-Xia
收藏  |  浏览/下载：71/0  |  提交时间：2021/02/02
AunFe clusters  Geometrical structure  Relative stability  Magnetic moment  Density functional method  
First-principle study of AunFe (n=1-7) clusters 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 卷号: 902, 期号: 1-3, 页码: 54-58
作者:  Die Dong;  Kuang Xiao-Yu;  Guo Jian-Jun;  Zheng Ben-Xia
收藏  |  浏览/下载：85/0  |  提交时间：2021/02/02
AunFe clusters  Geometrical structure  Relative stability  Magnetic moment  Density functional method  
First-principle study of Au(n)Fe (n=1-7) clusters 期刊论文
Journal of Molecular Structure-Theochem, 2009, 卷号: 902, 期号: 1-3, 页码: 54-58
作者:  D. Die;  X. Y. Kuang;  J. J. Guo;  B. X. Zheng
Adobe PDF(402Kb)  |  收藏  |  浏览/下载：69/0  |  提交时间：2012/04/13
Au(n)Fe Clusters  Geometrical Structure  Relative Stability  Magnetic  Moment  Density Functional Method  Density  
Substituting effect on first hyperpolarizability of R-terminated polysilaacetylene oligomers 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2007, 卷号: 823, 期号: 1-3, 页码: 28-33
作者:  Liao, Rongbao;  Liu, Caiping;  Sa, Rongjian;  Wu, Kechen
收藏  |  浏览/下载：72/0  |  提交时间：2021/02/02
polysilaacetylene oligomers  first hyperpolarizability  substituting effect  push-pull system  bond length alternation