CAS OpenIR

Browse/Search Results:  1-10 of 13 Help

Selected(0)Clear Items/Page:    Sort:
Structural and electronic analysis of Li/Al layered double hydroxides and their adsorption for CO2 期刊论文
APPLIED SURFACE SCIENCE, 2017, 卷号: 416, 页码: 411-423
Authors:  Hou, Xin-Juan;  Li, Huiquan;  He, Peng;  Sun, Zhenhua;  Li, Shaopeng
Adobe PDF(5983Kb)  |  Favorite  |  View/Download:89/0  |  Submit date:2017/07/17
Li/al Layered Double Hydroxides  Co2  Non-covalent Interaction Analysis  Density Functional Theory  
Comparison of the structures and electronic properties of sodalites containing alkali metals and alkali-earth metals and their hydrates 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 12, 页码: 926-934
Authors:  Hou, Xin-Juan;  Li, Huiquan;  He, Peng;  Li, Shaopeng
Adobe PDF(5525Kb)  |  Favorite  |  View/Download:101/0  |  Submit date:2017/07/10
Sodalites  Alkali And Alkali-earth Metal Ions  Electronic Structures  Novalent Interaction Analysis  Density Functional Theory  
Molecular-Level Investigation of the Adsorption Mechanisms of Toluene and Aniline on Natural and Organically Modified Montmorillonite 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 45, 页码: 11199-11207
Authors:  Hou, Xin-Juan;  Li, Huiquan;  He, Peng;  Li, Shaopeng;  Liu, Qinfu
Adobe PDF(4615Kb)  |  Favorite  |  View/Download:91/0  |  Submit date:2015/12/21
Theoretical study for the interlamellar aminoalcohol functionalization of kaolinite 期刊论文
APPLIED SURFACE SCIENCE, 2015, 卷号: 347, 期号: AUG, 页码: 439-447
Authors:  Hou, Xin Juan;  Li, Huiquan;  Liu, Qinfu;  Cheng, Hongfei;  He, Peng;  Lia, Shaopeng
Adobe PDF(4411Kb)  |  Favorite  |  View/Download:96/0  |  Submit date:2015/08/18
Kaolinite  Interaction Modes Of Aminoalcohols  Noncovalent Interaction Analysis  Density Functional Theory  
Theoretical investigation for adsorption of CO2 and CO on MIL-101 compounds with unsaturated metal sites 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2015, 卷号: 1055, 期号: MAR, 页码: 8-14
Authors:  Hou, Xin-Juan;  Li, Huiquan;  He, Peng
Adobe PDF(1800Kb)  |  Favorite  |  View/Download:76/0  |  Submit date:2015/04/01
Mil-101  Adsorption Mechanism  Preferential Adsorption Mode  Non-covalent Interaction Analyses  
工艺条件对高铝粉煤灰制备莫来石性能的影响 期刊论文
硅酸盐通报, 2015, 期号: 6, 页码: 1459-1464
Authors:  林滨;  李少鹏;  侯新娟;  李会泉
Adobe PDF(380Kb)  |  Favorite  |  View/Download:49/0  |  Submit date:2016/01/11
Theoretical Study of the Intercalation Behavior of Ethylene Glycol on Kaolinite 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 45, 页码: 26017-26026
Authors:  Hou, Xin-Juan;  Li, Huiquan;  Li, Shaopeng;  He, Peng
Adobe PDF(7405Kb)  |  Favorite  |  View/Download:57/0  |  Submit date:2015/04/01
Dimethyl-sulfoxide  Molecular-dynamics  Ab-initio  Uranyl Adsorption  Crystal-structure  Surfaces  Simulation  Complex  Pyrophyllite  Formamide  
Understanding the Adsorption Mechanism of C2H2, CO2, and CH4 in Isostructural Metal-Organic Frameworks with Coordinatively Unsaturated Metal Sites 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 卷号: 117, 期号: 6, 页码: 2824-2834
Authors:  Hou, Xin-Juan;  He, Peng;  Li, Huiquan;  Wang, Xingrui
Adobe PDF(1855Kb)  |  Favorite  |  View/Download:84/0  |  Submit date:2015/05/05
Amine-Functionalized Metal Organic Framework as a Highly Selective Adsorbent for CO2 over CO 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 卷号: 116, 期号: 37, 页码: 19814-19821
Authors:  Wang, Xingrui;  Li, Huiquan;  Hou, Xin-Juan
Adobe PDF(1442Kb)  |  Favorite  |  View/Download:111/0  |  Submit date:2013/11/28
Chromium Terephthalate Mil-101  Carbon-dioxide  Catalytic-properties  Zeolite 13x  Adsorption  Separation  Capture  Ch4  Encapsulation  Consequences  
苯胺与甲醛合成4,4-二氨基二苯甲烷反应体系的热力学分析 期刊论文
化工学报, 2012, 期号: 08, 页码: 2348-2355
Authors:  王晨晔;  李会泉;  曹妍;  柳海涛;  侯新娟;  张懿
Adobe PDF(731Kb)  |  Favorite  |  View/Download:197/0  |  Submit date:2014/08/27
苯胺  甲醛  4  4-二氨基二苯甲烷  基团贡献法  热力学模拟计算