会议专题

第七届国际分子模拟与信息技术应用学术会议

总文献量: 163篇会议类型: 国内会议会议地点: 苏州主办单位: 中国化学会计算(机)化学专业委员会;中国科学院上海药物研究所;苏州大学会议日期: 2014-10-26

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First-principles calculations of the stability and hydrogen storage behavior of C14 Laves phase compound TiCrMn

Zhi-Sheng Nong Jing-Chuan Zhu Xia-Wei Yang Yong Cao Zhong-Hong Lai Yong Liu Wen Sun

Nonequilibrium Molecular Dynamics Simulation of Pressure-Driven Water Transport through Modified CNT Membranes

Luying Wang

Effects of catalyst surface and hydrogen bond on ethanol dehydrogenation to ethoxy on Cu catalysts

Kang Sun Minhua Zhang Lichang Wang

DFT study on effect of CO on the system of acetoxylation of ethylene to vinyl acetate

Minhua Zhang Meixiang Gao Qian Li Minli Tao Yingzhe Yu

Materials Studio软件在COF材料研究中的应用

丁三元王为

Molecular simulation study in enhanced oil recovery (EOR)

Shiling Yuan

Excess Dielectron in an Ionic Liquid as a Dynamic Bipolaron

Jinxiang Liu Zhiping Wang Meng Zhang Robert I.Cukier Yuxiang Bu

多孔石墨烯用作氢气分离与提纯的膜材料的理论研究

李亚飞周震陈中方

A Single Chain Antibody using LoxP511 as the Linker Enables Large-Content Phage Library Construction via Cre/LoxP Recombination

Yan Zhang Chunxia Qiao Jiannan Feng Wei Wang Ming Lv Zhou Lin Jing Geng Yali Li Beifen Shen Yuanfang Ma Yan Li

First-principles calculations of elastic and thermodynamic properties of the four main intermetallic phases in Al-Zn-Mg-Cu alloys

C.M.Li S.M.Zeng Z.Q.Chen N.P.Cheng T.X.Chen

Electronic structure, mechanical and thermal properties of V-C binary compounds

XiaoYu Chong YeHua Jiang Rong Zhou Jing Feng

First Principles Study the Stability and Mechanical Properties of MC (M=Ti, V, Zr, Nb, Hf and Ta) Compounds

YangZhen Liu YeHua Jiang Rong Zhou Jing Feng

Virtual screening, docking and in silico analysis of GSK-3β and CDK5 dual inhibitors

解鸿波

漆酶与酚类模式底物的结合及反应活性的理论研究

齐艳兵朱吉人孙尧金杜芸褚建君石婷赵一雷王晓雷

结构,带隙和能级调节以获得聚合物太阳能电池中的有效材料

袁建宇黄小东董慧龙陆佳灵杨涛李有勇 Aidan Gallagher 马万里

Molecular dynamics simulations and microscopic analysis of the damping performance of hindered phenol AO-60/nitrile-butadiene rubber composites

Meng Song Xiuying Zhao Yi Li Shikai Hu Liqun Zhang Sizhu Wu

Characterization of selenium-containing glutathione transferase zeta1-1 with high GPX activity prepared in eukaryotic cells

Li Yin Jian Song Philip G.Board Yang Yu Xiao Han Jingyan Wei

Structural basis for low-affinity binding of non-R2 carboxylate substituted tricyclic quinoline analogs to CK2α

Zhang Na Zhou Yue

RNA-protein interaction prediction from sequence and structure

Shiyong Liu

对3,6-Di(azido)-1,2,4,5-tetrazine重氮环化的理论研究

周阳龙新平舒远杰