会议专题

第八届国际分子模拟与信息技术应用学术会议

总文献量: 270篇会议类型: 国内会议会议地点: 大连主办单位: 中国化学会;大连理工大学;中科院会议日期: 2016-09-24

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Discovery and synthesis of a novel series of potent,selective inhibitors of the PI3Kα:2-alkyl-chromeno”4,3-c”pyrazol-4(2H)-one derivatives

Yong Yin Xun Wu Hong-Wei Han Shao Sha She-Feng Wang Fang Qiao Ai-Min Lu Peng-Cheng Lv Hai-Liang Zhu

K3B6O10X(X=Cl,Br)晶体的非线性光学机理及模拟加压研究

张兵兵李明宪杨志华井群潘世烈张敏吴红萍苏欣李政勛

Fe- and Co-P4-embedded graphenes as electrocatalysts for the oxygen reduction reaction:theoretical insights

Liyan Feng Yuejie Liu Jingxiang Zhao

CH4 dehydrogenation on Cu(111),Cu@Cu(111),Rh@Cu(111)and RhCu(111)surfaces:A comparison studies of catalytic activity

Riguang Zhang Tian Duan Lixia Ling Baojun Wang

Heparin makes differences:a molecular dynamics simulation study on the human βⅡ-tryptase monomer

Yan Wang Qing-Chuan Zheng Chui-Peng Kong Ye Tian Jiuyu Zhan Ji-Long Zhang Hong-Xing Zhang

Transverse Ising model with multi-impurity

Xuchu Huang Zhihua Yang

High pressure synthesis of Te-doped CoSb3 with enhanced thermoelectric performance

Qian Zhang Xiaohui Li Yulong Kang Long Zhang Dongli Yu Julong He Zhongyuan Liu Yongjun Tian Bo Xu

Combined Molecular Docking,3D-QSAR,and Pharmacophore Model:Design of Novel Tubulin Polymerization Inhibitors by Binding to Colchicine-binding Site

Dong-Dong Li Ya-Juan Qin Xin Zhang Yong Yin Hai-Liang Zhu

First Principles Calculation of Diffusion Behavior in High Entropy Alloys

Liao Mingqing Lai Zhonghong Zhu Jingchuan Liu Yong

BaCdSnS4 and Ba3CdSn2S8:Syntheses,Structures,Nonlinear Optical and Photoluminescence Properties

Ni Zhen Kui Wu Ying Wang Qiang Li Qiang Li Dianwei Hou Zhihua Yang Huaidong Jiang Yongjun Dong Shilie Pan