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科研机构
大连化学物理研究所 [23]
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期刊论文 [23]
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2018 [1]
2017 [2]
2015 [1]
2014 [1]
2013 [1]
2010 [1]
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物理化学 [1]
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A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids
期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 1
作者:
Chu, Huiying
;
Peng, Xiangda
;
Li, Yan
;
Zhang, Yuebin
;
Li, Guohui
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/06/20
Lipid Polarizable Force Field
Dmpg
Pops
Scalable solvent-free preparation of [Ni-3(HCOO)(6)] frameworks for highly efficient separation of CH4 from N-2
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2017, 卷号: 327, 页码: 564-572
作者:
Liu, Xiaowei
;
Sun, Tianjun
;
Hu, Jiangliang
;
Guo, Ya
;
Wang, Shudong
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2017/12/19
Metal-organic framework
[Ni-3(HCOO)(6)]
Adsorptive separation
PSA
Methane
Scalable solvent-free preparation of [Ni-3(HCOO)(6)] frameworks for highly efficient separation of CH4 from N-2
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2017, 卷号: 327, 页码: 564-572
作者:
Guo, Ya
;
Hu, Jiangliang
;
Liu, Xiaowei
;
Sun, Tianjun
;
Zhao, Shengsheng
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2017/12/19
Metal-organic framework
[Ni-3(HCOO)(6)]
Adsorptive separation
PSA
Methane
Advancement of Polarizable Force Field and Its Use for Molecular Modeling and Design
期刊论文
advance in structural bioinformatics, 2015, 卷号: 827, 页码: 19-32
作者:
Xu, Peijun
;
Wang, Jinguang
;
Xu, Yong
;
Chu, Huiying
;
Liu, Jiahui
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2015/11/17
Polarizable force field
AMOEBA
Fluctuating charge model
Induced point dipole model
Molecular modeling
Highly enhanced selectivity for the separation of CH4 over N-2 on two ultra-microporous frameworks with multiple coordination modes
期刊论文
microporous and mesoporous materials, 2014, 卷号: 186, 页码: 137-145
作者:
Ren, Xinyu
;
Sun, Tianjun
;
Hu, Jiangliang
;
Wang, Shudong
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2015/11/17
Adsorption
Metal-organic frameworks
Microporous materials
CH4/N-2 separation
Selectivity
Stability of polar ZnO surfaces studied by pair potential method and local energy density method
期刊论文
theoretical chemistry accounts, 2013, 卷号: 133, 期号: 1, 页码: 1427
作者:
Sun, Keju
;
Su, Hai-Yan
;
Li, Wei-Xue
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2014/09/11
ZnO
Polar surfaces
The stability
Pair potential method
Local energy density method
Chirality transition in the epoxidation of (-)-alpha-pinene and successive hydrolysis studied by Raman optical activity and DFT
期刊论文
physical chemistry chemical physics, 2010, 卷号: 12, 期号: 12, 页码: 3005-3013
作者:
Qiu, Shi
;
Li, Guanna
;
Liu, Peng
;
Wang, Changhao
;
Feng, Zhaochi
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2015/11/12
Quantitative structure-retention relationship studies for taxanes including epimers and isomeric metabolites in ultra fast liquid chromatography
期刊论文
journal of chromatography a, 2009, 卷号: 1216, 期号: 42, 页码: 7055-7062
作者:
Dong, Pei-Pei
;
Ge, Guang-Bo
;
Zhang, Yan-Yan
;
Ai, Chun-Zhi
;
Li, Guo-Hui
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2010/11/30
QSRR
Taxanes
Isomers identification
Ultra fast liquid chromatography
Monte Carlo variable selection
Artificial neural network
Microscopic molecular optics theory of surface second harmonic generation and sum-frequency generation spectroscopy based on the discrete dipole lattice model
期刊论文
international reviews in physical chemistry, 2008, 卷号: 27, 期号: 4, 页码: 629-664
作者:
Zheng, De-Sheng
;
Wang, Yuan
;
Liu, An-An
;
Wang, Hong-Fei
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2015/11/12
interface
submonolayer
molecular orientation
second harmonic generation (SHG)
sum frequency generation vibrational spectroiscopy (SFG-VS)
Maxwell equations
Experimental observables and macroscopic Susceptibility/Microscopic polarizability tensors for third and fourth-order Nonlinear Spectroscopy of ordered molecular system
期刊论文
chinese journal of chemical physics, 2007, 卷号: 20, 期号: 4, 页码: 449-460
作者:
Wang, Yuan
;
Cui, Zhi-Feng
;
Wang, Hong-Fei
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/11/11
third and fourth-order nonlinear spectroscopy
experimental observable
macroscopic susceptibility/microscopic polarizability tenser
ordered molecular system
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