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Paper Abstract and Keywords
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
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.
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
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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)
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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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