2001 Fiscal Year Final Research Report Summary
Visualization of chemical reactions for hypertext teaching materials for chemical education
| Project/Area Number |
12680173
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Science education
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| Research Institution | TOKYO GAKUGEI UNIVERSITY |
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Principal Investigator |
TERATANI Shousuke Tokyo Gakugei Uniwereity, Faculty of Education, Professor, 教育学部, 教授 (60087533)
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| Co-Investigator(Kenkyū-buntansha) |
MATSUBARA Shizuo National Institute for Educational Policy Research, Chief Researcher, 教育課程研究センター, 統括研究官 (50132692)
IKUO Akira Tokyo Gakugei Uniwereity, Faculty of Education,Assistant Professor, 教育学部, 助手 (50159589)
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| Project Period (FY) |
2000 – 2001
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| Keywords | Chemical reaction / Interactive animation / Simulator / Reaction profile / Web |
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| Research Abstract |
The"Computer Microscope", or the CG animations of chemical reactions based on quantum chemical calculations, was improved. A part of the "Computer Microscope" was transformed into a hypertext teaching material for chemical education and was uploaded on our Web site.
1. The IRC controller was placed to study the structural change of the transition-state, and could be moved back and forth, which cannot be done with tradttipnal "ball and stick" molecular models.
2. The CG animations of chemical reactions were reconstructed based on ab initio calculations.
3. The QT-VR was used to allow the studentto rotate molecule freely.
4. The molecular orbital, HOMO and LUMO, were displayed to help students to understand how they play an important role in chemical reaction.
5. Introduction of IRC theory by using CG animation was improved by displaying the potential energy surface with the synchronized movement of a ball on the reaction profile.
6. The simulator that the student can use to search for the transition-state was developed.
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