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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:110/0  |  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  
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:63/0  |  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-principles study on the geometry and stability of CO and hydrogen coadsorption on the Ni(111)2x2 surface 期刊论文
Chemical Physics, 2006, 卷号: 323, 期号: 2-3, 页码: 334-340
作者:  L. Xu;  H. Y. Xiao;  X. T. Zu
收藏  |  浏览/下载:75/0  |  提交时间:2012/04/14
First-principles Study  Co  Hydrogen  Coadsorption  Ni(111)  Density-functional Theory  Reflection-absorption Spectroscopy  X-ray-diffraction  Carbon-monoxide  Chemisorbed Co  Ni(111)-c(4x2)-2co  Structure  Atmospheric-pressure  Vibrational-spectra  Adsorption Sites  Ni(110)  
Investigation of properties of infrared absorption of alpha-helix protein molecules 期刊论文
International Journal of Infrared and Millimeter Waves, 2006, 卷号: 27, 期号: 5, 页码: 735-752
作者:  X. F. Pang;  H. W. Zhang
收藏  |  浏览/下载:136/0  |  提交时间:2012/04/14
Mechanism  Property  Infrared Absorption  Biological Effect  Alpha-helix  Protein Molecule  Bio-energy Transport  Vibrational-energy-spectra  Transported Bio-energy  Nonlinear  Quantum-theory  Self-trapping Equation  Davydov Solitons  Thermodynamic  Properties  Biological Temperature  Finite-temperature  Improved Model  Systems  
Influences of quantum and disorder effects on solitons excited in protein molecules in improved model 期刊论文
Communications in Theoretical Physics, 2005, 卷号: 43, 期号: 2, 页码: 367-376
作者:  X. F. Pang;  J. F. Yu;  Y. H. Luo
收藏  |  浏览/下载:95/0  |  提交时间:2012/04/14
Bio-energy Transport  Protein  Soliton  Quantum Effect  Disorder Effect  Numerical Simulation  Vibrational-energy-spectra  Transported Bio-energy  Davydov-like  Solitons  Finite-temperature  Thermodynamic Properties  Living Systems  Polaron Band  Dynamics  Lifetime  States  
Calculation of vibrational energy-spectra of alpha-helical protein molecules and its properties 期刊论文
Communications in Theoretical Physics, 2002, 卷号: 37, 期号: 6, 页码: 715-722
作者:  X. F. Pang;  X. R. Chen
收藏  |  浏览/下载:86/0  |  提交时间:2012/04/14
Vibrational Energy Spectra  Protein  Bio-energy Transport  Infrared  Absorption And Radiation  Davydov Soliton Dynamics  Nonlinear Quantum-theory  Self-trapping  Equation  Finite-temperature  Thermodynamic Properties  Polaron Band  Lifetime  Systems  Excitation  Crystals  
Thermally biological effects and its medical functions of the infrared rays absorbed by living systems 期刊论文
International Journal of Infrared and Millimeter Waves, 2002, 卷号: 23, 期号: 3, 页码: 375-391
作者:  X. F. Pang
收藏  |  浏览/下载:115/0  |  提交时间:2012/04/14
Infrared Light  Water  Thermally Biological Effect  Vibration  Energy-spectra  Hydrogen-bond  Vibrational-energy-spectra  Nonlinear Quantum-theory  Local-mode  Water  H2o  Molecule  
Distribution of vibrational energy levels of protein molecular chains 期刊论文
Communications in Theoretical Physics, 2001, 卷号: 35, 期号: 3, 页码: 323-326
作者:  X. F. Pang;  X. R. Chen
收藏  |  浏览/下载:87/0  |  提交时间:2012/04/14
Vibrational Energy Levels  Nonlinear Schrodinger Equation  Protein  Molecules  Nonlinear Quantum-theory  Self-trapping Equation  Thermodynamic  Properties  Solitons  Spectra  Temperature  Acetanilide  Excitation  Overtones  Crystals