饮用水中有机污染物分子的VRML模型

李欣; 齐晶瑶; 袁一星

环境化学

饮用水中有机污染物分子的VRML模型

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李欣, 齐晶瑶, 袁一星. 饮用水中有机污染物分子的VRML模型[J]. 环境化学, 2004, 23(4): 424-426.

引用本文:

李欣, 齐晶瑶, 袁一星. 饮用水中有机污染物分子的VRML模型[J]. 环境化学, 2004, 23(4): 424-426.

LI Xin, QI Jing-yao, YUAN Yi-xing . VRML MODELS OF ORGANIC POLLUTANTS IN DRINKING WATER[J]. Environmental Chemistry, 2004, 23(4): 424-426.

Citation:

LI Xin, QI Jing-yao, YUAN Yi-xing . VRML MODELS OF ORGANIC POLLUTANTS IN DRINKING WATER[J]. Environmental Chemistry, 2004, 23(4): 424-426.

饮用水中有机污染物分子的VRML模型

1.
哈尔滨工业大学应用化学系, 哈尔滨, 150090;
2.
北京工业大学环境与能源学院, 北京, 100022
基金项目:
黑龙江省自然科学基金资助项目(项目编号:E0204)

VRML MODELS OF ORGANIC POLLUTANTS IN DRINKING WATER

1.
Department of Chemistry, Harbin Institute of Technology, Harbin, 150090;
2.
The College of Architecture and Civil Engineering, Beijing University of Technology, Beijing, 100022
Fund Project:

摘要: 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.
- 饮用水 /
- 有机污染物 /
- 分子 /
- 虚拟现实造型语言
Abstract: Semi empirical MNDO PM3 method was used to optimize the molecular geometry of humic acid and 3-chloro-4(dichloromethyl)-5-hydroxy-2[5H]- furanone.The virtual reality modeling language(VRML)molecular models have been investigated using MolSurf software.These VRML molecular models can be viewed from freely chosen viewpoints.The visualization is not simply a display of some final computational results,but the graphical representation and the user interacting with it is the continuous source of new information.
- drinking water /
- organic pollutants /
- molecular /
- VRML

[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]	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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李欣, 齐晶瑶, 袁一星. 饮用水中有机污染物分子的VRML模型[J]. 环境化学, 2004, 23(4): 424-426.

引用本文:

李欣, 齐晶瑶, 袁一星. 饮用水中有机污染物分子的VRML模型[J]. 环境化学, 2004, 23(4): 424-426.

LI Xin, QI Jing-yao, YUAN Yi-xing . VRML MODELS OF ORGANIC POLLUTANTS IN DRINKING WATER[J]. Environmental Chemistry, 2004, 23(4): 424-426.

Citation:

LI Xin, QI Jing-yao, YUAN Yi-xing . VRML MODELS OF ORGANIC POLLUTANTS IN DRINKING WATER[J]. Environmental Chemistry, 2004, 23(4): 424-426.

饮用水中有机污染物分子的VRML模型

1. 哈尔滨工业大学应用化学系, 哈尔滨, 150090;
2. 北京工业大学环境与能源学院, 北京, 100022

收稿日期: 2003-06-19

基金项目:

黑龙江省自然科学基金资助项目(项目编号:E0204)

关键词:

摘要: 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.

English Abstract

VRML MODELS OF ORGANIC POLLUTANTS IN DRINKING WATER

1. Department of Chemistry, Harbin Institute of Technology, Harbin, 150090;
2. The College of Architecture and Civil Engineering, Beijing University of Technology, Beijing, 100022

Received Date: 2003-06-19

Fund Project:

Keywords:

Abstract: Semi empirical MNDO PM3 method was used to optimize the molecular geometry of humic acid and 3-chloro-4(dichloromethyl)-5-hydroxy-2[5H]- furanone.The virtual reality modeling language(VRML)molecular models have been investigated using MolSurf software.These VRML molecular models can be viewed from freely chosen viewpoints.The visualization is not simply a display of some final computational results,but the graphical representation and the user interacting with it is the continuous source of new information.

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饮用水中有机污染物分子的VRML模型

VRML MODELS OF ORGANIC POLLUTANTS IN DRINKING WATER

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饮用水中有机污染物分子的VRML模型

English Abstract

VRML MODELS OF ORGANIC POLLUTANTS IN DRINKING WATER

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