Technology of new computer software in chemistry science and role of mathematics and information technology in calculation
Publish place: The Second International Conference and the Third National Conference on the Application of New Technologies in Engineering Sciences
Publish Year: 1394
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
ITCC02_029
تاریخ نمایه سازی: 21 شهریور 1395
Abstract:
To last of 1970 chemistry science of koantom was depend on big computers but doing developments was usual in active speed and volume of instrument memory, using of mini computers in koantom chemistry calculation. In this paper was evaluated role of connection and information technology in learning. Also about condition of doing calculation in chemistry is mentioned to some software and is explained using of modern computer program in chemistry. Doing studies are shown that nowadays science is increased very rapid and in same time it is necessary that this knowledge is combined with different skills and jobs. If technology is combined in present didactic processes it can have important role in creating didactic environment because it is presenting the way of contact with people in real world. Technology can support of creative thought with using of ways that are solve problems in learning situation. Technology can make environments with situations in real world that in them there is user and tool too.Also evaluation about using soft ware’s in chemistry science is shown that majority of using soft wares in this study of chemistry is Gaussian 98. Chemical models in Gaussian 98 were made by mixing of visionary ways with basic collections. Gaussian 98 software can predict very properties of molecules and reactions. Other software capabilities are: Calculation of molecule and structure energy, energy and structure of vibration frequency of passing statuses, Thermodynamic properties, reaction energy, reactions way, molecule orbital, atom valence.
Authors
Shahriar Arjmand
Department of Chemistry, Islamic Azad University, jam Branch, jam,Iran
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