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Effect of F, Cl, Br and I substitution on the BphB enzyme for the degradation of halogenated biphenyls, revealed by quantum and molecular mechanics
期刊论文
ENVIRONMENTAL CHEMISTRY LETTERS, 2019, 卷号: 17, 期号: 2, 页码: 1167-1173
作者:
Zhang, Ruiming
;
Zhuang, Tao
;
Zhang, Qingzhu
;
Wang, Wenxing
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/11
Quantum mechanics
molecular mechanics
Polyhalogenated biphenyls
Metabolites
Dehydrogenation
Electrostatic influence
Insights into the catalytic mechanism of dehydrogenase BphB: A quantum mechanics/molecular mechanics study
期刊论文
CHEMOSPHERE, 2018, 卷号: 208, 页码: 69-76
作者:
Zhang, Ruiming
;
Shi, Xiangli
;
Sun, Yanhui
;
Zhang, Qingzhu
;
Wang, Wenxing
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/11
Quantum mechanics/molecular mechanics
Polychlorinated biphenyl
metabolites
Dehydrogenation
Electrostatic influence
3D CFD simulations of acetone hydrogenation in randomly packed beds for an isopropanol-acetone-hydrogen chemical heat pump
期刊论文
APPLIED THERMAL ENGINEERING, 2016, 卷号: 94, 页码: 238-248
作者:
Peng, Wenping
;
Xu, Min
;
Huai, Xiulan
;
Liu, Zhigang
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2016/04/26
Chemical heat pump
Acetone hydrogenation
Packed bed
CFD
Hydrothermal synthesis of nanocrystalline H[Fe, Al]ZSM-5 zeolites for conversion of methanol to gasoline
期刊论文
ENERGY CONVERSION AND MANAGEMENT, 2015, 卷号: 93, 页码: 259-266
作者:
Li, Jianqing
;
Miao, Pengjie
;
Li, Zhuo
;
He, Tao
;
Han, Dezhi
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2015/11/02
Hydrothermal synthesis
Nanocrystalline
H[Fe
Methanol to gasoline (MTG)
Al]ZSM-5
Characteristic and kinetic of liquid-phase isopropanol dehydrogenation over Raney nickel catalysts for chemical heat pump
期刊论文
APPLIED THERMAL ENGINEERING, 2014, 卷号: 70, 期号: 1, 页码: 580-585
作者:
Xin, Fang
;
Xu, Min
;
Huai, Xiu-Lan
;
Li, Xun-Feng
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/12/17
Chemical heat pump
Kinetic model
Liquid-phase dehydrogenation
Isopropanol
Raney nickel
Lattice Boltzmann simulation of catalytic reaction in porous media with buoyancy
期刊论文
APPLIED THERMAL ENGINEERING, 2014, 卷号: 70, 期号: 1, 页码: 586-592
作者:
Li, Xunfeng
;
Chen, Jin
;
Xu, Min
;
Huai, Xiulan
;
Xin, Fang
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2015/12/17
Lattice Boltzmann method
Catalytic reaction
Porous media
Buoyancy
Study on isopropanol-acetone-hydrogen chemical heat pump: Liquid phase dehydrogenation of isopropanol using a reactive distillation column
期刊论文
APPLIED THERMAL ENGINEERING, 2013, 卷号: 58, 期号: 1-2, 页码: 369-373
作者:
Xin, Fang
;
Xu, Min
;
Huai, Xiulan
;
Li, Xunfeng
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2015/10/23
Chemical heat pump
Liquid-phase dehydrogenation
Reactive distillation
Raney nickel
Mechanism of the influence of the interaction between interstitial H atom and doped atom on the dehydrogenation performance of LiNH2
期刊论文
ACTA PHYSICA SINICA, 2011, 卷号: 60, 期号: 11, 页码: 5
作者:
Lu Guang-Xia
;
Zhang Hui
;
Zhang Guo-Ying
;
Liang Ting
;
Li Dan
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2021/02/02
hydrogen storage materials
first-principles calculation
defect
dehydrogenation mechanics
Interpretation of dehydrogenation ability of high-density hydrogen storage materials by density functional theory
期刊论文
Acta Physica Sinica, 2011, 卷号: 60, 期号: 2
H. Zhang
;
M. Z. Xiao
;
G. Y. Zhang
;
G. X. Lu
;
S. L. Zhu
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2012/05/18
hydrogen storage material
first-principles calculation
dehydrogenation
ability
Interpretation of dehydrogenation ability of high-density hydrogen storage materials by density functional theory
期刊论文
Acta Physica Sinica, 2011, 卷号: 60, 期号: 2
H. Zhang
;
M. Z. Xiao
;
G. Y. Zhang
;
G. X. Lu
;
S. L. Zhu
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2012/04/13
hydrogen storage material
first-principles calculation
dehydrogenation
ability
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