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南华大学 [2]
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期刊论文 [11]
发表日期
2014 [11]
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On the Nature of Blueshifting Hydrogen Bonds
期刊论文
http://dx.doi.org/10.1002/chem.201402189, 2014
Mo, Yirong
;
Wang, Changwei
;
Guan, Liangyu
;
Braida, Benoit
;
Hiberty, Philippe C.
;
Wu, Wei
;
莫亦荣
;
吴玮
收藏
  |  
浏览/下载:121/0
  |  
提交时间:2015/07/22
CENTER-DOT-O
ENERGY DECOMPOSITION ANALYSIS
LOCALIZED MOLECULAR-ORBITALS
GROUP-FUNCTION APPROXIMATION
DENSITY-FUNCTIONAL THEORY
UNUSUAL INTENSITY CHANGES
INTERMOLECULAR INTERACTIONS
VIBRATIONAL SPECTROSCOPY
CHARGE-TRANSFER
POLYATOMIC SYSTEMS
Stereodynamics investigation of F plus HO -> HF + O(D-1) on the ground singlet potential energy surface by means of the quasi-classical trajectory method
期刊论文
canadian journal of chemistry-revue canadienne de chimie, 2014, 卷号: 92, 期号: 3, 页码: 250-256
作者:
Zhao, Dan
;
He, Xiaohu
;
Guo, Wei
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/11/17
stereodynamics
quasi-classical trajectory
collision energy
isotopic effect
initial ro-vibrational excitation
Theoretical insight into the deep-blue amplified spontaneous emission of new organic semiconductor molecules
期刊论文
ORGANIC ELECTRONICS, 2014, 卷号: 15, 期号: [db:dc_citation_issue], 页码: 3144-3153
作者:
Ma, Lin
;
Wu, Zhaoxin
;
Lei, Ting
;
Yu, Yue
;
Yuan, Fang
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  |  
浏览/下载:6/0
  |  
提交时间:2019/12/03
Franck-Condon factor
Vibrational modes
Density functional theory
Huang-Rhys factor
Amplified spontaneous emission
Four-level energy level scheme
Tests for power flow measurement and vibrational energy estimation
期刊论文
Zhendong yu Chongji/Journal of Vibration and Shock, 2014, 卷号: 33, 期号: [db:dc_citation_issue], 页码: 194-198
作者:
Qiao, Bai-Jie
;
Zhao, Tong
;
Chen, Xue-Feng
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/03
Acceleration signals
Driving point impedances
Energy estimation
Experimental investigations
Loss factor
Power flows
Second harmonic waves
Vibrational energies
Path integral Liouville dynamics for thermal equilibrium systems
期刊论文
journal of chemical physics, 2014
Liu, Jian
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  |  
浏览/下载:2/0
  |  
提交时间:2015/11/10
VIBRATIONAL-ENERGY RELAXATION
CENTROID MOLECULAR-DYNAMICS
TIME-CORRELATION-FUNCTIONS
BACKWARD SEMICLASSICAL DYNAMICS
LIQUID PARA-HYDROGEN
QUANTUM-STATISTICAL MECHANICS
NONLINEAR OPERATORS
CANONICAL ENSEMBLE
CONSTANT-PRESSURE
CONDENSED-PHASE
Discriminating trpzip2 and trpzip4 peptides' folding landscape using the two-dimensional infrared spectroscopy: A simulation study
期刊论文
journal of chemical physics, 2014
Wu, Tianmin
;
Zhang, Ruiting
;
Li, Huanhuan
;
Yang, Lijiang
;
Zhuang, Wei
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浏览/下载:4/0
  |  
提交时间:2015/11/11
BETA-HAIRPIN PEPTIDE
FREE-ENERGY LANDSCAPE
AMIDE-I MODES
MOLECULAR-DYNAMICS
TRANSITION-STATE
VIBRATIONAL SPECTROSCOPY
CONFORMATIONAL DYNAMICS
FORCE-FIELDS
LIQUID WATER
PROTEINS
2.7 mu m Emission properties of Er3+ doped fluorozirconate glass
期刊论文
glass phys. chem., 2014, 卷号: 40, 期号: 3, 页码: 277
作者:
Huang, Feifei
;
Guo, Yanyan
;
Ma, Yaoyao
;
Hu, Lili
;
Zhang, Junjie
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  |  
浏览/下载:18/0
  |  
提交时间:2016/11/28
NEAR-INFRARED EMISSION
ENERGY-TRANSFER
VIBRATIONAL-SPECTRA
GERMANATE GLASSES
FLUORIDE GLASS
LIYF4
IONS
2.7 mu m Emission properties of Er3+ doped fluorozirconate glass
期刊论文
glass phys. chem., 2014, 卷号: 40, 期号: 3, 页码: 277
作者:
Huang, Feifei
;
Guo, Yanyan
;
Ma, Yaoyao
;
Hu, Lili
;
Zhang, Junjie
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2016/11/28
NEAR-INFRARED EMISSION
ENERGY-TRANSFER
VIBRATIONAL-SPECTRA
GERMANATE GLASSES
FLUORIDE GLASS
LIYF4
IONS
Stereodynamics investigation of F plus HO -> HF + O(D-1) on the ground singlet potential energy surface by means of the quasi-classical trajectory method
期刊论文
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 2014, 卷号: 92, 页码: 250-256
作者:
Zhao, Dan
;
He, Xiaohu
;
Guo, Wei
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
stereodynamics
quasi-classical trajectory
collision energy
isotopic effect
initial ro-vibrational excitation
Stereodynamics investigation of F + HO →HF + O(1D) on the ground singlet potential energy surface by means of the quasi-classical trajectory method
期刊论文
Canadian Journal of Chemistry, 2014, 卷号: 92, 期号: 3, 页码: 250-256
作者:
Zhao, Dan*
;
He, Xiaohu
;
Guo, Wei
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/27
Collision energy
Initial ro-vibrational excitation
Isotopic effect
Quasi-classical trajectory
Stereodynamics
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