国家自然科学基金(s50673085)

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相关期刊：《Journal of Ocean University of China》更多>>
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DFT and 3D-QSAR Studies of Anti-Cancer Agents m-(4-Morpholinoquinazolin-2-yl) Benzamide Derivatives for Novel Compounds Design
《Journal of Ocean University of China》2018年第3期609-613,共5页ZHAO Siqi ZHANG Guanglong XIA Shuwei YU Liangmin 
financial supports from the National Natural Science Foundation of China (Nos. 50673085, 20677053);the National High-Tech Research and Development Programme of China (No. 2010AA09Z203)
As a group of diversified frameworks, quinazolin derivatives displayed a broad field of biological functions, especially as anticancer. To investigate the quantitative structure-activity relationship, 3D-QSAR models ...
关键词：quinazolin derivatives ANTICANCER 3D-QSAR electronic structure molecular design 
Adsorption Mechanism of Water Molecule on Goethite(010) Surface
《Journal of Ocean University of China》2016年第6期1021-1026,共6页XIU Fangyuan ZHOU Long XIA Shuwei YU Liangmin 
financial supports from the National Natural Science Foundation of China (Nos.50673085,20677053)
Abstract Goethite widely exists among ocean sediments; it plays an important role in fixing heavy metals and adsorbing organic contaminants. So the understanding of the adsorbing process of water molecule on its surfa...
关键词：density functional theory GOETHITE WATER ADSORPTION 
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