兰州大学机构库

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自然轨道福井函数和成键活性描述符应用于解释苯硫醌和1,3-二烯的[2+4]和[4+2]环加成反应中的成键机理(英文) 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 34, 期号: 05, 页码: 497-502
Authors:  闫超咸;  杨帆;  吴睿智;  周大刚;  杨兴;  周盼盼
Favorite  |    Submit date:2023/11/21
福井函数  自然轨道福井函数  成键活性描述符  环加成反应  亲核/亲电进攻  
Insights into the Diels-Alder Reaction between 3-Vinylindoles and Methyleneindolinone without and with the Assistance of Hydrogen-Bonding Catalyst Bisthiourea: Mechanism, Origin of Stereoselectivity, and Role of Catalyst 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2017, 卷号: 82, 期号: 6, 页码: 3046-3061
Authors:  Yan, Chao-Xian;  Yang, Fan;  Yang, Xing;  Zhou, Da-Gang;  Zhou, PP(周盼盼)
Favorite  |    Submit date:2018/01/18
Quantitative relationships between bond lengths, stretching vibrational frequencies, bond force constants, and bond orders in the hydrogen-bonded complexes involving hydrogen halides 期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 2, 页码: 513-521
Authors:  Yang, Fan;  Wu, Rui-Zhi;  Yan, Chao-Xian;  Yang, Xing;  Zhou, Da-Gang;  Zhou, PP(周盼盼)
Favorite  |    Submit date:2018/09/27
Hydrogen bond  Bond length  Stretching vibrational frequency  Bond force constant  Bond order  
Mechanism of selective C-H cyanation of 2-phenylpyridine with benzyl nitrile catalyzed by CuBr: A DFT investigation 期刊论文
Organic Chemistry Frontiers, 2017, 卷号: 4, 期号: 3, 页码: 377-385
Authors:  Zhou, Da-Gang;  Yang, Fan;  Yang, Xing;  Yan, Chao-Xian;  Zhou, PP(周盼盼);  Jing, HW(景欢旺)
Favorite  |    Submit date:2017/05/08
Linear σ-hole&mellip;C[tbnd]O&mellip;σ-hole intermolecular interactions between carbon monoxide and dihalogen molecules XY (X, Y = Cl, Br) 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2017, 卷号: 76, 页码: 419-428
Authors:  Yang, Xing;  Yang, Fan;  Wu, Rui-Zhi;  Yan, Chao-Xian;  Zhou, Da-Gang;  Zhou, PP(周盼盼);  Yao, XJ(姚小军)
Favorite  |    Submit date:2018/09/27
Halogen bond  sigma-Hole  Molecular electrostatic potential (MEP)  Quantum theory of atoms in molecule  Electronic density difference  
Cooperative halogen bonds in V-shaped H3N·X1X2·X3Y (X1, X2, X3 = Cl and Br; Y = F, Cl and Br) complexes 期刊论文
RSC Advances, 2016, 卷号: 6, 期号: 108, 页码: 106285-106296
Authors:  Yang, Xing;  Yan, Chao-Xian;  Zhou, Da-Gang;  Yang, Fan;  Zhou, PP(周盼盼)
Favorite  |    Submit date:2017/05/08
Mechanisms of cascade reactions between N-methylindole and sulfonylazides via Huisgen cycloaddition: A theoretical investigation 期刊论文
J MOL CATAL A-CHEM, 2016, 卷号: 417, 页码: 19-27
Authors:  Zhou, Da-Gang;  Zhou, PP(周盼盼);  Jing, HW(景欢旺)
Favorite  |    Submit date:2017/01/12
N-methylindole  Sulfonylazides  Huisgen cycloaddition  Fukui function  Dual descriptor  
Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 13
Authors:  Zhou, PP(周盼盼);  Liu, Shubin;  Ayers, Paul W.;  Zhang, Rui-Qin
Favorite  |    Submit date:2018/09/27
Further New Gypenosides from Jiaogulan (Gynostemma pentaphyllum) 期刊论文
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2017, 卷号: 65, 期号: 4, 页码: 5926-5934
Authors:  Wang, Jun;  Yang, Jun-Li;  Zhou, PP(周盼盼);  Meng, Xian-Hua;  Shi, Yan-Ping
Favorite  |    Submit date:2018/09/27
jiaogulan  Gynostemma pentaphyllum  new gypenosides  PTP1B inhibitory activity  cytotoxicity  
Nicotinic acid and its derivatives: synthetic routes, crystal forms and polymorphs 期刊论文
Current drug discovery technologies, 2014, 卷号: 11, 期号: 2, 页码: 97-108
Authors:  Zhou, PP(周盼盼);  Sun, Xiao-Bo;  Qiu, Wen-Yuan
Favorite  |    Submit date:2016/10/20
Crystallization  Molecular Structure  Nicotinic Acids  chemical synthesis  chemistry