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科研机构
中南大学 [7]
上海大学 [6]
大连化学物理研究所 [4]
湖南大学 [3]
北京大学 [2]
青海盐湖研究所 [2]
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期刊论文 [36]
发表日期
2015 [36]
学科主题
物理化学 [2]
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Phase diagrams and thermochemical modeling of salt lake brine systems. I. LiCl+H2O system
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2015, 卷号: 51, 页码: 1-12
作者:
Li, Dongdong
;
Zeng, Dewen
;
Han, Haijun
;
Guo, Lijiang
;
Yin, Xia
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2018/06/20
Phase Diagram
Brine
Modeling
Pitzer-simonson-clegg Model
Licl
Catalytic mechanism of human N-acetylserotonin methyltransferase: a theoretical investigation
期刊论文
MOLECULAR PHYSICS, 2015, 卷号: 113, 期号: 22, 页码: 3438-3449
作者:
Wang, Li
;
Zhang, Ting
;
Li, Jieqiong
;
He, Chaozheng
;
He, Hongqing
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2015/12/29
human N-acetylserotonin methyltransferase
DFT
deprotonation
S-adenosyl-L-methionine
methyl-transfer mechanism
Thermodynamic study on solar thermochemical fuel production with oxygen permeation membrane reactors
期刊论文
INTERNATIONAL JOURNAL OF ENERGY RESEARCH, 2015, 卷号: 39, 期号: 13, 页码: 1790-1799
作者:
Wang, Hongsheng
;
Hao, Yong
;
Kong, Hui
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2015/11/16
solar
thermochemistry
isothermal
water splitting
methane
syngas
oxygen permeation membrane
Theoretical study of iron acyl complexes modeling the active site of [Fe]-hydrogenase: Solvation effects play a significant role
期刊论文
computational and theoretical chemistry, 2015, 卷号: 1064, 页码: 45-50
作者:
Li, Chaozheng
;
Fu, Zhiqiang
;
Zhang, Xiaoqian
;
Liu, Yufang
;
Wang, Yong
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/11/17
Density functional theoretical calculation
Solvation effects
Iron
Transition state
Exothermic process
Insight into the catalytic activity for a series of synthesized and newly designed phosphonium-based ionic liquids on the fixation of carbon dioxide
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2015, 卷号: 134, 期号: 6
作者:
Wang, Li
;
Li, Ping
;
Li, Ya
;
He, Hongqing
;
Zhang, Jinglai
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  |  
浏览/下载:15/0
  |  
提交时间:2015/07/20
Functionalized phosphonium-based ionic liquids
CO2
Chain length
Cation
Total energy equation leading to exchange-correlation functional
期刊论文
Science China-Physics Mechanics & Astronomy, 2015, 卷号: 58, 期号: 5, 页码: 54601
作者:
Liu F(刘峰)
;
Wang ZQ(王自强)
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  |  
浏览/下载:41/0
  |  
提交时间:2015/06/11
Density-functional theory
exchange-correlation functional
bulk modulus
band structure
aluminum
silicon
Predictions on the solubility and equiscale line of water content for the quaternary system (Li plus Na + Cl + SO4 + H2O) at 298.15 K
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2015, 卷号: 48, 页码: 13-17
作者:
Liu, Yuanhui
;
Guo, Yafei
;
Wang, Xuekui
;
Song, Pengsheng
;
Deng, Tianlong
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2018/06/20
Salt-water System
Hmw Modeling
Phase Diagram
Equiscale Of Water-phase Diagram
Lithium Salts
Computational comparison of reactions of CS2 with CHX center dot- (X = F, Cl, and Br). Do F, Cl, and Br substitutions effect differently?
期刊论文
journal of theoretical & computational chemistry, 2015, 卷号: 14, 期号: 2
作者:
Liang, Junxi
;
Su, Qiong
;
Zheng, Shijie
;
Yu, Jing
;
Geng, Zhiyuan
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2015/11/17
Carbene radical anion
reaction mechanism
density functional theory
Thermochemistry of some binary lead and transition metal compounds by high temperature direct synthesis calorimetry
期刊论文
Journal of Alloys and Compounds, 2015, 卷号: 633, 页码: 183-187
S. V.
;
Nash Meschel, P.
;
Chen, X. Q.
;
Wei, P.
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  |  
浏览/下载:15/0
  |  
提交时间:2015/05/08
Thermodynamics
Enthalpies of formation
augmented-wave method
standard enthalpies
pb
alloys
reactors
elements
systems
zr5pb3
Thermodynamic assessment of the LiCl-KCl-CeCl3 system
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2015, 卷号: 49, 期号: [db:dc_citation_issue], 页码: 1-7
作者:
He, Maogang
;
Lu, Guangxuan
;
Kang, Zhangyang
;
Zhang, Ying
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/02
LiCl-KCl-CeCl3 system
Thermodynamic assessment
Two-sublattice ionic solution model
Phase diagram
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