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| Presentation | 2008-07-15 15:40 3D visualization system in order to grasp the characteristics of the atomic and molecular orbitals Takatoshi Naka, Yasuyo Hatano, Shigeyoshi Yamamoto (Chukyo Univ.), Hitoshi Tatewaki (Nagoya City Univ.), Mamoru Endo, Masashi Yamada, Shinya Miyazaki (Chukyo Univ.)  IE2008-50 MVE2008-44 |
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| Abstract | (in Japanese) | (See Japanese page) |
| (in English) | A molecular orbital or electron density is a physical quantity which serves as the foundation for describing an electron’s behavior. It is important to embody them for analyzing the mechanism of chemical reactions. With the increment of the quantum number, it is difficult to understand its electron’s appearance from an orbital function formula. Therefore, we developed a system that helps the calculation of Molecular Orbital. It is able to arrange the Atomic Orbital like models assembled. And the probability density is drawn in 3D. The purpose of this system is groping for whether forecast of equilibrium internuclear distance or judgment of character of chemical bond is possible from observing Atomic Orbitals run into several. It is going to be useful for the feature analysis of the molecular orbit of analysis of the chemical bond etc. function by expanding coverage to the polyatomic molecule or crystallization, etc. |
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| Keyword | (in Japanese) | (See Japanese page) |
| (in English) | atomic orbital / molecular orbital / isosurface / scientific visualization / crystallization / molecular orbit calculation / / | |
| Reference Info. | IEICE Tech. Rep., vol. 108, no. 128, MVE2008-44, pp. 101-106, July 2008. | |
| Paper # | MVE2008-44 | |
| Date of Issue | 2008-07-07 (IE, MVE) | |
| ISSN | Print edition: ISSN 0913-5685 Online edition: ISSN 2432-6380 | |
| Copyright and reproduction |
All rights are reserved and no part of this publication may be reproduced or transmitted in any form or by any means, electronic or mechanical, including photocopy, recording, or any information storage and retrieval system, without permission in writing from the publisher. Notwithstanding, instructors are permitted to photocopy isolated articles for noncommercial classroom use without fee. (License No.: 10GA0019/12GB0052/13GB0056/17GB0034/18GB0034) | |
| Download PDF | IE2008-50 MVE2008-44 |
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| Conference Information | |
| Committee | IE MVE |
| Conference Date | 2008-07-14 - 2008-07-15 |
| Place (in Japanese) | (See Japanese page) |
| Place (in English) | Shinshu University |
| Topics (in Japanese) | (See Japanese page) |
| Topics (in English) | |
| Paper Information | |
| Registration To | MVE |
| Conference Code | 2008-07-IE-MVE |
| Language | Japanese |
| Title (in Japanese) | (See Japanese page) |
| Sub Title (in Japanese) | (See Japanese page) |
| Title (in English) | 3D visualization system in order to grasp the characteristics of the atomic and molecular orbitals |
| Sub Title (in English) | |
| Keyword(1) | atomic orbital |
| Keyword(2) | molecular orbital |
| Keyword(3) | isosurface |
| Keyword(4) | scientific visualization |
| Keyword(5) | crystallization |
| Keyword(6) | molecular orbit calculation |
| Keyword(7) | |
| Keyword(8) | |
| 1st Author's Name | Takatoshi Naka |
| 1st Author's Affiliation | Chukyo University (Chukyo Univ.) |
| 2nd Author's Name | Yasuyo Hatano |
| 2nd Author's Affiliation | Chukyo University (Chukyo Univ.) |
| 3rd Author's Name | Shigeyoshi Yamamoto |
| 3rd Author's Affiliation | Chukyo University (Chukyo Univ.) |
| 4th Author's Name | Hitoshi Tatewaki |
| 4th Author's Affiliation | Nagoya City University (Nagoya City Univ.) |
| 5th Author's Name | Mamoru Endo |
| 5th Author's Affiliation | Chukyo University (Chukyo Univ.) |
| 6th Author's Name | Masashi Yamada |
| 6th Author's Affiliation | Chukyo University (Chukyo Univ.) |
| 7th Author's Name | Shinya Miyazaki |
| 7th Author's Affiliation | Chukyo University (Chukyo Univ.) |
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| Speaker | Author-1 |
| Date Time | 2008-07-15 15:40:00 |
| Presentation Time | 25 minutes |
| Registration for | MVE |
| Paper # | IE2008-50, MVE2008-44 |
| Volume (vol) | vol.108 |
| Number (no) | no.127(IE), no.128(MVE) |
| Page | pp.101-106 |
| #Pages | 6 |
| Date of Issue | 2008-07-07 (IE, MVE) |
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