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Hydrogenation of biomass-derived levulinic acid to gamma-valerolactone catalyzed by PNP-Ir pincer complexes: A computational study 期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2015, 卷号: 797, 页码: 165-170
作者:  Gao, Hui;  Chen, Jinzhu
收藏  |  浏览/下载:139/0  |  提交时间:2016/12/01
Hydrogenation  Catalytic Mechanism  Iridium  Density Functional Theory  Gamma-valerolactone  Levulinic Acid  
Investigation of Interfacial Properties for Associating Lennard-Jones Fluids Confined in Slit Pores 期刊论文
ACTA CHIMICA SINICA, 2011, 卷号: 69, 期号: 4, 页码: 363-367
作者:  Li Xiaosen;  Wu Huijie
收藏  |  浏览/下载:138/0  |  提交时间:2016/10/27
Two-site Associating Lennard-jones Fluid  Slit Pore  Interfacial Tension  Density Functional Theory  
Investigation of Phase Behaviors for Associating Lennard-Jones Fluids Confined in Slit Pores 期刊论文
ACTA CHIMICA SINICA, 2010, 卷号: 68, 期号: 17, 页码: 1681-1686
作者:  Wu Huijie;  Li Xiaosen
收藏  |  浏览/下载:125/0  |  提交时间:2016/10/27
Two-site Associating Lennard-jones Fluid  Slit Pore  Phase Behavior  Density Functional Theory  
缔合流体在纳米缝隙中的相行为研究 期刊论文
ACTA CHIMICA SINICA, 2010, 卷号: 68, 期号: 17, 页码: 6,1681-1686
作者:  Wu Huijie(吴慧杰);  Li Xiaosen(李小森)
收藏  |  浏览/下载:260/0  |  提交时间:2014/12/31
Two-site Associating Lennard-jones Fluid  Slit Pore  Phase Behavior  Density Functional Theory  Density-functional Theory  Fundamental-measure-theory  Interfacial Properties  Adsorption Prediction  Surface-tension  Gas-adsorption  Active Carbons  Solid-surfaces  Equilibria  Transitions  二缔合lennard-jones流体  纳米缝隙  相行为  密度泛函理论  
W-doped anatase TiO(2) transparent conductive oxide films: Theory and experiment 期刊论文
JOURNAL OF APPLIED PHYSICS, 2010, 卷号: 107, 期号: 6, 页码: 4
作者:  Chen, De-ming;  Xu, Gang;  Miao, Lei;  Chen, Li-hua;  Nakao, Setsuo;  Jin, Ping
浏览  |  Adobe PDF(307Kb)  |  收藏  |  浏览/下载:347/58  |  提交时间:2014/12/24
Conduction Bands  Density Functional Theory  Fermi Level  Sputter Deposition  Thin Films  Titanium Compounds  Transparency  X-ray Photoelectron Spectra  
Phase equilibria and plate-fluid interfacial tensions for associating hard sphere fluids confined in slit pores 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2006, 卷号: 125, 期号: 8, 页码: 84716
作者:  Fu, Dong;  Li, Xiao-Sen
Adobe PDF(159Kb)  |  收藏  |  浏览/下载:641/146  |  提交时间:2010/09/30
Density-functional Theory  Monte-carlo-simulation  Lennard-jones Fluids  Directional Attractive Forces  Pair Distribution Theories  Fundamental-measure-theory  Physical Adsorption  Solvation Forces  Gas-adsorption  Active Carbons