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Development And Trial of Computer Chemistry Education System in The Junior Course of University

Research Project

Project/Area Number 07558008
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section試験
Research Field Science education
Research InstitutionThe University of Tokyo

Principal Investigator

OGAWA Keiichiro  The University of Tokyo, Graduate School of Arts and Sciences, Associate Professor, 大学院・総合文化研究科, 助教授 (50114426)

Co-Investigator(Kenkyū-buntansha) KAWANO Yasuro  The University of Tokyo, Graduate School of Arts and Sciences, Researc Associate, 大学院・総合文化研究科, 助手 (10262099)
IMAMURA Yasutada  The University of Tokyo, Graduate School of Arts and Sciences, Research Associat, 大学院・総合文化研究科, 助手 (40201339)
KIKUCHI Kazuo  The University of Tokyo, Graduate School of Arts and Sciences, Associate Profess, 大学院・総合文化研究科, 助教授 (60012423)
NISHIKIORI Shin-ichi  The University of Tokyo, Graduate School of Arts and Sciences, Associate Profess, 大学院・総合文化研究科, 助教授 (70134400)
Project Period (FY) 1995 – 1996
Project Status Completed (Fiscal Year 1996)
Budget Amount *help
¥3,400,000 (Direct Cost: ¥3,400,000)
Fiscal Year 1996: ¥1,400,000 (Direct Cost: ¥1,400,000)
Fiscal Year 1995: ¥2,000,000 (Direct Cost: ¥2,000,000)
KeywordsComputer, / Molecular modeling, / Junior course in university, / Chemical education, / Visualization / 大学前記課程 / コンピュータ化学
Research Abstract

Computer is now an indispensable tool in chemical research. Use of computer enables us the visualization and prediction of three dimensional structure of molecules, the calculation and display of molecular orbitals, and so on. To show young students such a modern aspect of chemistry, a course of "computational chemistry" has been opened in the College of Arts and Sciences, The University of Tokyo. For this course, molecular modeling system has been introduced. The system is as follows : ten personal computers with the use of Windows 3.1 and unix server machines connected through the campus network. As molecular modeling software "CAChe" is used. The course is opened for one semester ever year. Following subjects were studied in the course : molecular structure and energy of simple organic molecules, molecular conformation and conformational interconversion of saturated cyclic molecules, structure of metal complexes, structure of macromolecules, molecular orbitals of two or three atomic molecules, pi-molecular orbitals and Diels-Alder reaction, molecular orbitals and electronic spectra. In the last three lectures, each students studied his own subjects as "free research". Many students reported that chemistry becomes interesting for them. I believe that the primary object of this project has been achieved.

Report

(3 results)
  • 1996 Annual Research Report   Final Research Report Summary
  • 1995 Annual Research Report
  • Research Products

    (21 results)

All Other

All Publications (21 results)

  • [Publications] 原田潤: "Cis-'Stiff' Stilbenes:(Z)-6.6^1-dimethyl-1.1^1-biindany lidene and (Z)-4.4^1,7.7^1-tetramethy 1-1,1^1-biindally lidene" Acta Crystallogr.C51. 2125-2127 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] 原田潤: "The Central C-C Band Length in the Bi(anthracene-9,10-di-methylene)Photoisomer" Chem.lett.751-752 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] 鈴木博之: "Synthesis and Structure of Extremely Hindered and Stable Disilenes" Organometallics. 14. 1016-1022 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] 原田潤: "The Central Band Leugth in 1,2-Diphenylethaues" J.Am.Chem.Soc. 117. 4476-4478 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] 小川桂一郎: "Unusuolly Short Ethyleve Band and Large Amplitude Torsional Motion of (E)-Stilbenes in Crystals" Acta Crystallogr.B51. 240-248 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] 原田潤: "Molecular Motion and Carformational Interconversion in Crystals as Studied by X-ray Diffrartion" Acta Crystallogr.B-53(印刷中). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] J.Harada, K.Ogawa, and S.Tomoda: "Cis-'Stiff' Stilbenes : (Z)-6,6'-dimethyl-1,1'-biindanylidene and (Z)-4,4', 7,7'-tetramethyl-1,1'-biindanylidene" Acta Crystallogr.C51. 2125-2127 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] J.Harada, K.Ogawa, and S.Tomoda: "The Central C-C Bond Length in the Bi (anthracene-9,10-dimethylene) Photoisomer : Unusual Elongation and Crystalline State Reaction" Chem. Lett.751-752 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Suzuki, N.Tokitoh, R.Okazaki, J.Harada, and K.Ogawa: "Synthesis and Structure of Extremely Hindered and Stable Disilenes" Organometallics. 14. 1016-1022 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] J.Harada, K.Ogawa, and S.Tomoda: "The Central Bond Length in 1,2-Dephenylethanes" J.Am. Chem. Soc.117. 4476-4478 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Ogawa, J.Harada, and S.Tomoda: "Unusually Short Ethylene Bond and Large Amplitude Torsional Motion of (E)-Stilbenes in Crystals. X-ray Crystallographic Study of 'Stiff Stilbenes" Acta Crystallogr.B51. 240-248 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] J.Harada, K.Ogawa, and S.Tomoda: "Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction." Acta Crystallogr.B53 (in press.). (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] 原田潤: "The Central C-C Band in the Bilamthracene-9,10-dimethy-lene)Photoisomer." Mol.Cryst.Lig.Cryst.277. 119-123 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] 横山弥生: "Study on the Conformation of an Isopropyl-Substituted Furylfulgide." Bull.Chem.Soc.Jpn.69. 1605-1612 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] 原田潤: "Molecular Motion and Conformational Jnterronversion of Azobenzenes in Crystals as Studied by Xtay Diffiartion" Acta Cryst.Sect B. 53(印刷中). (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] J. Harada: "Cis-‘Stiff Stilbenes'" Acta. Crystallogr. Sect. C. 51. 2125-2127 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] J. Harada: "The Central C-C Bond Length in the Bi(anthracene-9,10-dimethylene)" Chem. Lett.751-752 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H. Suzuki: "Synthesis and structure of Extremely hindered and Stable Disilenes" Organometallics. 14. 1016-1022 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] J. Harada: "The Central Bond Length in 1,2-Diphenylethanes" J. Am. Chem. Soc.117. 4476-4478 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K. Ogawa: "Unusually Short Ethylene Bond of (E)-Stilbenes" Acta. Crystallogr. Sect. B. 51. 240-248 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] S. Aoyagi: "1,12-Digermacyclodocosanes" J. Chem. Soc., Perkin trans. 2. 355-358 (1995)

    • Related Report
      1995 Annual Research Report

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Published: 1995-04-01   Modified: 2016-04-21  

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