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Theoretical studies on the spectroscopic properties of methyl mercaptan (CH3SH) 期刊论文
JOURNAL OF STRUCTURAL CHEMISTRY, 2015, 卷号: 56, 期号: 2, 页码: 216-220
作者:  Yu, A. -Y.;  Yang, Y. -P.;  ayyu@imr.ac.cn;  yypcnbe@126.com
收藏  |  浏览/下载:126/0  |  提交时间:2016/04/21
Methyl Mercaptan (Ch3sh)  Ground State  Triplet State  Excitation Energy  Ionization Energy  Electron Affinity  
Research on the thermal shifts and electron-phonon coupling parameters of R-line for Cr3+ and Mn4+ ions in YAlO3 crystals 期刊论文
Journal of Luminescence, 2013, 卷号: 138, 页码: 214-217
作者:  W. C. Zheng;  B. X. Li;  G. Y. Feng;  H. G. Liu
收藏  |  浏览/下载:128/0  |  提交时间:2013/12/24
Luminescence  Thermal Shift  Electron-phonon Coupling Parameter  Cr3++  Mn4++  Yalo3  Temperature-dependence  Single-crystals  Spectral-lines  Energy-levels  High-pressure  Nd3++ Ions  Excitation  Linewidths  Centers  
Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD(4) and CH(4) 期刊论文
International Journal of Quantum Chemistry, 2011, 卷号: 111, 期号: 15, 页码: 4433-4442
作者:  P. Lu;  X. Y. Kuang;  H. F. Li;  H. Q. Wang
Adobe PDF(448Kb)  |  收藏  |  浏览/下载:101/0  |  提交时间:2012/04/13
Barrier Height  Electronic Structure Method  Direct Classical Trajectory  Calculation  Mp2/cc-pvdz  Bomd  Initio Classical Trajectories  Abstraction Reaction Dynamics  Potential-energy Surfaces  Hessian-based Integrators  Born-oppenheimer  Surface  Photodissociation  Acetaldehyde  Excitation  Hydrogen  
Thermal stability of the new soliton transported bio-energy under influence of fluctuations of characteristic parameters at biological temperature in the protein molecules 期刊论文
International Journal of Modern Physics B, 2005, 卷号: 19, 期号: 32, 页码: 4677-4699
作者:  X. F. Pang;  H. W. Zhang;  J. F. Yu;  Y. U. Luo
收藏  |  浏览/下载:93/0  |  提交时间:2012/04/14
Protein Molecules  Soliton  Bio-energy Transport  Thermal Stability  Fluctuation  Characteristic Parameter  Davydov Soliton  Living Systems  Finite-temperature  Improved Model  Quantum  Dynamics  Lifetime  Spectra  Excitation  Crystals  
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  
Temperature effect of infrared rays absorbed by the protein molecules ln the living systems 期刊论文
International Journal of Infrared and Millimeter Waves, 2001, 卷号: 22, 期号: 2, 页码: 277-289
作者:  X. F. Pang;  C. T. Xu
收藏  |  浏览/下载:53/0  |  提交时间:2012/04/14
Thermodynamic Properties  Dynamic Properties  Davydov Soliton  Acetanilide  Crystals  Excitation  Energy  
The effects of Raman scattering accompanied by the soliton excitation occurring in molecular crystals 期刊论文
Physica D, 2001, 卷号: 154, 期号: 1-2, 页码: 138-158
作者:  X. F. Pang
收藏  |  浏览/下载:55/0  |  提交时间:2012/04/14
Raman Scattering  Soliton Excitation  Molecular Crystals  Protein Molecules  Thermodynamic Properties  Davydov Soliton  Acetanilide  Systems  Transport  Energy  
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:89/0  |  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  
The features of infrared absorption of the protein molecules in the living systems 期刊论文
Communications in Theoretical Physics, 2001, 卷号: 35, 期号: 6, 页码: 763-768
作者:  X. F. Pang
收藏  |  浏览/下载:56/0  |  提交时间:2012/04/14
Soliton  Protein Molecules  Infrared Absorption  Thermodynamic Properties  Dynamic Properties  Davydov Soliton  Acetanilide  Crystals  Excitation  Energy