中文版 | English

在结果中检索

IMR OpenIR

浏览/检索结果: 共13条，第1-10条 帮助

已选(0)清除 条数/页：   排序方式：
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD4 and CH4 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 卷号: 111, 期号: 15, 页码: 4433-4442
作者:  Lu, Peng;  Kuang, Xiao-Yu;  Li, Hui-Fang;  Wang, Huai-Qian
收藏  |  浏览/下载：106/0  |  提交时间：2021/02/02
barrier height  electronic structure method  direct classical trajectory calculation  MP2/cc-pVDZ  BOMD  
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD4 and CH4 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 卷号: 111, 期号: 15, 页码: 4433-4442
作者:  Lu, Peng;  Kuang, Xiao-Yu;  Li, Hui-Fang;  Wang, Huai-Qian
收藏  |  浏览/下载：90/0  |  提交时间：2021/02/02
barrier height  electronic structure method  direct classical trajectory calculation  MP2/cc-pVDZ  BOMD  
Probing the structural and electronic properties of lanthanide-metal-doped silicon clusters: M@Si-6 (M = Pr, Gd, Ho) 期刊论文
PHYSICS LETTERS A, 2011, 卷号: 375, 期号: 30-31, 页码: 2836-2844
作者:  Li, Hui-Fang;  Kuang, Xiao-Yu;  Wang, Huai-Qian
收藏  |  浏览/下载：97/0  |  提交时间：2021/02/02
Density functional theory  Photoelectron spectra  M@Si-6(-) (M = Pr, Gd, Ho) clusters  Electronic properties  
Density functional study of the structural and electronic properties of tetra-aluminum oxide [image omitted] (3 n 8,=0,-1) clusters 期刊论文
MOLECULAR PHYSICS, 2011, 卷号: 109, 期号: 4, 页码: 603-612
作者:  Zhong, Ming-Min;  Kuang, Xiao-Yu;  Wang, Huai-Qian;  Li, Hui-Fang;  Zhao, Ya-Ru
收藏  |  浏览/下载：145/0  |  提交时间：2021/02/02
aluminum oxide clusters  geometric structure  relative stability  electronic property  
Structural, electronic and magnetic properties of gold cluster doped with calcium: AunCa (n=1-8) 期刊论文
MOLECULAR PHYSICS, 2011, 卷号: 109, 期号: 2, 页码: 315-323
作者:  Shao, Peng;  Kuang, Xiao-Yu;  Zhao, Ya-Ru;  Wang, Huai-Qian;  Li, Yan-Fang
收藏  |  浏览/下载：169/0  |  提交时间：2021/02/02
AunCa clusters  geometrical configuration  density function method  
Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: AunZn- (2 <= n <= 10) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 卷号: 113, 期号: 51, 页码: 14022-14028
作者:  Wang, Huai-Qian;  Kuang, Xiao-Yu;  Li, Hui-Fang
收藏  |  浏览/下载：63/0  |  提交时间：2021/02/02
Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)(6)](3+) coordination complex in the sulfate alums series: a ligand field theory study 期刊论文
CHINESE PHYSICS B, 2009, 卷号: 18, 期号: 7, 页码: 2967-2974
作者:  Li Yan-Fang;  Kuang Xiao-Yu;  Gao Ming-Liang;  Zhao Ya-Ru;  Wang Huai-Qian
收藏  |  浏览/下载：74/0  |  提交时间：2021/02/02
complete energy matrices  electron paramagnetic resonance (EPR) spectra  local structure  
Effects of Concentration, Temperature and Hydrostatic Pressure on the Local Lattice Structure of Ni2+ Doped Zn(BF4)(2) center dot 6H(2)O Crystal 期刊论文
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2009, 卷号: 64, 期号: 7-8, 页码: 511-517
作者:  Gao, Ming-Liang;  Kuang, Xiao-Yu;  Li, Hui-Fang;  Wang, Huai-Qian
收藏  |  浏览/下载：103/0  |  提交时间：2021/02/02
Local Structure  Zn(BF4)(2) center dot 6H(2)O:Ni2+ System  Complete Energy Matrices  
Comparative analysis of the difference of local structure between EPR theory and X-ray diffraction experiment for NiSiF6 center dot 6H(2)O crystal 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2009, 卷号: 468, 期号: 1-2, 页码: 1-6
作者:  Wang, Huai-Qian;  Kuang, Xiao-Yu;  Li, Hui-Fang;  Mao, Ai-Jie
收藏  |  浏览/下载：90/0  |  提交时间：2021/02/02
Local structure  Complete energy matrices  EPR theory  X-ray diffraction experiment  NiSiF6 center dot 6H(2)O crystal  
Investigation of the Local Lattice Structure and the Effects of the Orbital Reduction Factor on the g Factors of a Trigonal [Ni(H2O)(6)](2)+ Cluster in NiTiF6 center dot 6H(2)O and ZnSiF6 center dot 6H(2)O Crystals at Different Temperatures 期刊论文
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2008, 卷号: 63, 期号: 9, 页码: 609-615
作者:  Li, Hu-Fang;  Kuang, Xiao-Yu;  Wang, Huai-Qian;  Mao, Ai-Jie
收藏  |  浏览/下载：138/0  |  提交时间：2021/02/02
Local Structure  Orbital Reduction Effect  EPR Spectrum  Complete Energy Matrices