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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 |