| Presentation | 2008-07-15 3D visualization system in order to grasp the characteristics of the atomic and molecular orbitals Takatoshi NAKA, Yasuyo HATANO, Shigeyoshi YAMAMOTO, Hiroshi TATEWAKI, Mamoru ENDO, Masashi YAMADA, Shinya MIYAZAKI, |
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| PDF Download Page |  PDF download Page Link |
| Abstract(in Japanese) | (See Japanese page) |
| Abstract(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. |
| Keyword(in Japanese) | (See Japanese page) |
| Keyword(in English) | molecular orbital / atomic orbital / isosurface / scientific visualization / crystallization / molecular orbit calculation |
| Paper # | IE2008-50,MVE2008-44 |
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| Conference Information | |
| Committee | IE |
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| Conference Date | 2008/7/7(1days) |
| Place (in Japanese) | (See Japanese page) |
| Place (in English) | |
| Topics (in Japanese) | (See Japanese page) |
| Topics (in English) | |
| Chair | |
| Vice Chair | |
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| Paper Information | |
| Registration To | Image Engineering (IE) |
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| Language | JPN |
| 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) | molecular orbital |
| Keyword(2) | atomic orbital |
| Keyword(3) | isosurface |
| Keyword(4) | scientific visualization |
| Keyword(5) | crystallization |
| Keyword(6) | molecular orbit calculation |
| 1st Author's Name | Takatoshi NAKA |
| 1st Author's Affiliation | School of Information Science and Technology, Chukyo University() |
| 2nd Author's Name | Yasuyo HATANO |
| 2nd Author's Affiliation | School of Information Science and Technology, Chukyo University |
| 3rd Author's Name | Shigeyoshi YAMAMOTO |
| 3rd Author's Affiliation | Faculty of Liberal Arts, Chukyo University |
| 4th Author's Name | Hiroshi TATEWAKI |
| 4th Author's Affiliation | Institute of Natural Sciences, Nagoya City University |
| 5th Author's Name | Mamoru ENDO |
| 5th Author's Affiliation | School of Information Science and Technology, Chukyo University |
| 6th Author's Name | Masashi YAMADA |
| 6th Author's Affiliation | School of Information Science and Technology, Chukyo University |
| 7th Author's Name | Shinya MIYAZAKI |
| 7th Author's Affiliation | School of Information Science and Technology, Chukyo University |
| Date | 2008-07-15 |
| Paper # | IE2008-50,MVE2008-44 |
| Volume (vol) | vol.108 |
| Number (no) | 127 |
| Page | pp.pp.- |
| #Pages | 6 |
| Date of Issue | |