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Raman Spectroscopy of Layered Compound YbB2C2 期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2021, 页码: 7
作者:  Li, Zhihui;  Yang, Jinxing;  Wang, Jiemin;  Chen, Jixin;  Zhang, Hao;  Cui, Cong;  Wang, Xiaohui;  Ji, Zhonghai;  Zhang, Yongheng;  Li, Meishuan
收藏  |  浏览/下载:119/0  |  提交时间:2021/10/15
YbB2C2  Layered compound  Raman spectroscopy  First-principles calculations  Vibrational modes  
High-pressure-induced phase transition in cinchomeronic acid polycrystalline form-I 期刊论文
CHINESE PHYSICS B, 2019, 卷号: 28, 期号: 1
作者:  Yan TingTing;  Xi DongYang;  Wang JunHai;  Fan XuFeng;  Wan Ye;  Zhang LiXiu;  Wang Kai
收藏  |  浏览/下载:114/0  |  提交时间:2021/02/02
POLYMORPHIC TRANSFORMATION  CRYSTAL-STRUCTURE  SPECTROSCOPY  DIMER  phase transformations  pressure  vibrational spectroscopy  x-ray diffraction  
Pressure effect of structural and vibrational properties of solid pentaerythritol by molecular dynamics simulations 期刊论文
Physica B-Condensed Matter, 2012, 卷号: 407, 期号: 19, 页码: 3996-4000
作者:  L. Y. Lu;  X. L. Zhou;  X. R. Chen
收藏  |  浏览/下载:111/0  |  提交时间:2013/02/05
Molecular Dynamics  High Pressure  High Explosives  Vibrational  Properties  Neutron-diffraction  Force-field  X-ray  Raman  Refinement  Crystals  Compass  Spectra  Nitrate  Wave  
Mysterious Waters at Metal Surfaces 期刊论文
Journal of Materials Science & Technology, 2010, 卷号: 26, 期号: 9, 页码: 769-775
作者:  J. B. A. Li;  S. L. Zhu;  F. H. Wang
Adobe PDF(442Kb)  |  收藏  |  浏览/下载:83/0  |  提交时间:2012/04/13
Water Monolayer  Surface Structure  Transition Metal Surfaces  Scanning-tunneling-microscopy  Density-functional Theory  Vibrational-spectra  Ice  Pt(111)  Adsorption  Dissociation  Ru(0001)  Excitation  Molecules  
A Comparative Study of the Structural, Electronic, and Vibrational Properties of NH3BH3 and LiNH2BH3: Theory and Experiment 期刊论文
CHEMPHYSCHEM, 2009, 卷号: 10, 期号: 11, 页码: 1825-1833
作者:  Lee, Seung Mi;  Kang, Xiang-Dong;  Wang, Ping;  Cheng, Hui-Ming;  Lee, Young Hee
收藏  |  浏览/下载:82/0  |  提交时间:2021/02/02
density functional calculations  electronic structure  FTIR spectroscopy  hydrogen storage  vibrational spectroscopy  
A Comparative Study of the Structural, Electronic, and Vibrational Properties of NH3BH3 and LiNH2BH3: Theory and Experiment 期刊论文
CHEMPHYSCHEM, 2009, 卷号: 10, 期号: 11, 页码: 1825-1833
作者:  Lee, Seung Mi;  Kang, Xiang-Dong;  Wang, Ping;  Cheng, Hui-Ming;  Lee, Young Hee
收藏  |  浏览/下载:79/0  |  提交时间:2021/02/02
density functional calculations  electronic structure  FTIR spectroscopy  hydrogen storage  vibrational spectroscopy  
A Comparative Study of the Structural, Electronic, and Vibrational Properties of NH(3)BH(3) and LiNH(2)BH(3): Theory and Experiment 期刊论文
Chemphyschem, 2009, 卷号: 10, 期号: 11, 页码: 1825-1833
作者:  S. M. Lee;  X. D. Kang;  P. Wang;  H. M. Cheng;  Y. H. Lee
收藏  |  浏览/下载:85/0  |  提交时间:2012/04/13
Density Functional Calculations  Electronic Structure  Ftir  Spectroscopy  Hydrogen Storage  Vibrational Spectroscopy  Walled Carbon Nanotubes  Hydrogen-storage Materials  Organic Frameworks  Alkali  Amidoboranes  Hydride  Ammonia  Lithium  Borane  Energy  
The pressure-induced phase transition of the solid -HMX 期刊论文
Molecular Physics, 2009, 卷号: 107, 期号: 22, 页码: 2373-2385
作者:  L. Y. Lu;  D. Q. Wei;  X. R. Chen;  G. F. Ji;  X. J. Wang;  J. Chang;  Q. M. Zhang;  Z. Z. Gong
Adobe PDF(1434Kb)  |  收藏  |  浏览/下载:64/0  |  提交时间:2012/04/13
-hmx Crystal  Octahydro-1  Molecular Dynamics  3  High Pressure Compression  5  Phase  7-tetranitr  Transition  Vibrational Frequencies  Beta-cyclotetramethylene Tetranitramine  Molecular-dynamics Simulations  Compass Force-field  Vibrational-spectra  Crystal Structure  
THE EFFECTS OF DAMPING AND TEMPERATURE OF MEDIUM ON THE SOLITON EXCITED IN alpha-HELIX PROTEIN MOLECULES WITH THREE CHANNELS 期刊论文
Modern Physics Letters B, 2009, 卷号: 23, 期号: 1, 页码: 71-88
作者:  X. F. Pang;  M. J. Liu
收藏  |  浏览/下载:128/0  |  提交时间:2012/04/13
Bio-energy Transport  Soliton  Protein  Damping  Temperature  Dynamics  Runge-kutta Method  Vibrational-energy-spectra  Davydov Soliton  Finite-temperature  Thermodynamic Properties  Vibron Solitons  Living Systems  Polaron Band  Quantum  Dynamics  Crystals  
First-Principle Calculations for Elastic and Thermodynamic Properties of Diamond 期刊论文
Communications in Theoretical Physics, 2009, 卷号: 51, 期号: 6, 页码: 1129-1134
作者:  Z. J. Fu;  G. F. Ji;  X. R. Chen;  Q. Q. Gou
Adobe PDF(446Kb)  |  收藏  |  浏览/下载:91/0  |  提交时间:2012/04/13
Density Functional Theory  Elastic Constants  Thermodynamic Properties  Diamond  Ab-initio Calculations  Vibrational Frequencies  High-pressure  Bulk  Modulus  Temperature  Constants  Exchange  Accurate  Energy  Phase