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饮用水中有机污染物分子的VRML模型

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Abstract:

用半经验量子化学计算MNDO-PM3方法,计算了腐殖酸(HA)和3-氯-4-(二氯甲基)-5-羟基-2(5H)-呋喃酮(MX)的几何构型、电子结构等.用MolSurf软件建立了HA和MX的VRML(虚拟现实造型语言)模型.

References

[1]	Wolfgang Broll,Tanja Koop,VRML:Today and Tomorrow[J] .Computer & Graphics,1996,20(3):427-434
[2]	Igor Rojdestvenski,VRML Metabolic Network Visualizer[J] .Computers in Biology and Medicine,2003,33:169-182
[3]	http://www2.chemie.uni-erlangen.de/projects/ChemVis/
[4]	Steelink C,Implications of Elemental Characteristics of Humic Substances.In Aliken G R,McKnight D M,Warshaw R L et al.(Eds),Hunic Substances in Soil,Sediments and Water[M] ,Wiley Interscience,New York,1985,457-476

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