XJIPC OpenIR

Browse/Search Results:  1-10 of 80 Help

Selected(0)Clear Items/Page:    Sort:
DFT Analysis of NO Adsorption on the Undoped and Ce-Doped LaCoO3 (011) Surface 期刊论文
MATERIALS, 2019, 卷号: 12, 期号: 9, 页码: 1-15
Authors:  Li, XC (Li, Xiaochen)[ 1,2 ];  Gao, HW (Gao, Hongwei)[ 3 ]
Adobe PDF(6047Kb)  |  Favorite  |  View/Download:19/0  |  Submit date:2019/06/28
DFT calculations  LaCoO3 (011) surface  Ce doping  electron transfer  adsorption energy  
噻吩并[2,3-d]嘧啶-4(3H)-酮衍生物的合成及其活性研究 学位论文
, 北京: 中国科学院大学, 2018
Authors:  刘飞泽
Adobe PDF(6458Kb)  |  Favorite  |  View/Download:78/0  |  Submit date:2018/07/06
噻吩并嘧啶类衍生物  合成  抗肿瘤活性  抗流感活性  
噻吩[2,3-d]嘧啶酮衍生物的合成及其生物活性研究 学位论文
, 北京: 中国科学院大学, 2018
Authors:  聂礼飞
Adobe PDF(5171Kb)  |  Favorite  |  View/Download:74/0  |  Submit date:2018/07/06
抗肿瘤  噻吩[2  苯磺酰  3-d]嘧啶酮  黑素生成  抗菌  
N-叔丁基亚磺酰基亚胺酯/脒α位的不对称官能化研究 学位论文
, 北京: 中国科学院大学, 2018
Authors:  马鹏举
Adobe PDF(15050Kb)  |  Favorite  |  View/Download:27/0  |  Submit date:2018/07/06
N-叔丁基亚磺酰基亚胺酯/脒  非对映选择性  羟胺化  羟基化  酰硅  
Influence of Fluorine on Electronic Structures and Nonlinear Optical Effects of A Series of Borate Crystals 学位论文
博士, 北京: 中国科学院大学, 2018
Authors:  Beenish Bashir
Adobe PDF(6605Kb)  |  Favorite  |  View/Download:38/0  |  Submit date:2018/07/06
D10-cation Systems  Borate Fluorides  Fluorooxoborates  First-principles Calculations  Structure-property Relationship  
计算机辅助药物设计在治疗阿尔兹海默症中的应用 学位论文
, 北京: 中国科学院大学, 2018
Authors:  蒋迎迎
Adobe PDF(4007Kb)  |  Favorite  |  View/Download:65/1  |  Submit date:2018/07/06
阿尔兹海默症  乙酰胆碱酯酶  丁酰胆碱酯酶  分子对接  药效团模型  
Transformation of Polycyclic Aromatic Hydrocarbons and Formation of Environmentally Persistent Free Radicals on Modified Montmorillonite: The Role of Surface Metal Ions and Polycyclic Aromatic Hydrocarbon Molecular Properties 期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2018, 卷号: 52, 期号: 10, 页码: 5725-5733
Authors:  Jia, HZ (Jia, Hanzhong);  Zhao, S (Zhao, Song);  Shi, YF (Shi, Yafang);  Zhu, LY (Zhu, Lingyan);  Wang, CY (Wang, Chuanyi);  Sharma, VK (Sharma, Virender K.)
Adobe PDF(1291Kb)  |  Favorite  |  View/Download:39/0  |  Submit date:2018/06/14
Predicting tyrosinase inhibition by 3D QSAR pharmacophore models and designing potential tyrosinase inhibitors from Traditional Chinese medicine database 期刊论文
PHYTOMEDICINE, 2018, 卷号: 38, 期号: 1, 页码: 145-157
Authors:  Gao, HW (Gao, Hongwei)
Adobe PDF(2315Kb)  |  Favorite  |  View/Download:24/0  |  Submit date:2018/03/05
Tyrosinase  Inhibitors  Tcm  Pharmacophore Models  Docking  
Pharmacophore-based drug design for potential AChE inhibitors from Traditional Chinese Medicine Database 期刊论文
BIOORGANIC CHEMISTRY, 2018, 卷号: 76, 期号: 2, 页码: 400-414
Authors:  Jiang, YY (Jiang, Yingying);  Gao, HW (Gao, Hongwei);  Gao, HW
Adobe PDF(3371Kb)  |  Favorite  |  View/Download:11/0  |  Submit date:2018/03/14
Ad  Ache  Flavonoids  Tcm  Pharmacophore Models  Docking  
含d0、d10电子组态的硼酸盐二阶非线性光学基元的DFT研究 学位论文
博士, 北京: 中国科学院大学, 2017
Authors:  苏欣
Adobe PDF(5592Kb)  |  Favorite  |  View/Download:74/0  |  Submit date:2017/09/26
非线性光学材料  第一原理方法  含d0  电子结构  D10的阳离子贡献