THE CROSS-PLATFORM QUANTUM CHEMISTRY SOFTWARE FOR COLLEGE CHEMISTRY EDUCATION

Mengxin Song, Ping Guo, Shi Peng

2010

Abstract

Quantum Chemistry is one of the most important fields in Chemistry. However, lots of the concept are too abstract to comprehend for college students. Consequently, how to aid the students in this field to gain an intuitionistic comprehension of the quantum chemistry related knowledge becomes a crucial problem. A cross-platform quantum chemistry software (SIMU) is introduced in this paper. With a friendly graphic user interface (GUI), SIMU can be used to help users to build molecular and display the visualized computing results. SIMU is particular designed for students as well as researchers in the field of quantum chemistry, they can easily accomplish their demanded computations with friendly GUI. A survey conducted on several quantum chemical labs with the experience of SIMU supported teaching and learning shows that it is of great assistance of understanding abstract quantum chemical concept and acceptance of the SIMU platform.

References

  1. Coitiño, E., Ventura, O. and Sosa, R. (1992). Comparative ab initio and semi-empirical study of hydrogen bonded complexes of NH3 and H2O. Journal of Molecular Structure: THEOCHEM. 254, 315-328.
  2. Dill, D., Crosby, A., Carr, P., Garik, P., AlexGolger, Hoffman, M. and Horwitz, P. (2004). Designing targeted interactive software for chemical education for multiple educational environments. ACS 227th National Meeting.
  3. Miranowicz, N. and Miranowicz, M. (2009). Chemistry education with podcasts. Strategy and effectiveness. Research, Reflections and Innovations in Integrating ICT in Education. 1, 338-341. Formatex.
  4. Ye, Q. and Chen, Y. (1999). The computer multimedia application in college chemical education. University Chemistry. 3941. (in Chinese).
  5. Veryazov, V., Widmark, R.O., Andre, L., Lindh, R. and Roos, B. (2004). 2MOLCAS as a Development Platform for Quantum Chemistry Software. International Journal of Quantum Chemistry, 100, 626-635 .
  6. Wu, H., Krajcik, J.S. and Soloway, E. (2000). Promoting conceptual understanding of chemical representations: students' use of a visualization tool in the classroom. Journal of research in science teaching. 38, 821-842.
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Paper Citation


in Harvard Style

Song M., Guo P. and Peng S. (2010). THE CROSS-PLATFORM QUANTUM CHEMISTRY SOFTWARE FOR COLLEGE CHEMISTRY EDUCATION . In Proceedings of the 2nd International Conference on Computer Supported Education - Volume 1: CSEDU, ISBN 978-989-674-023-8, pages 438-441. DOI: 10.5220/0002793104380441


in Bibtex Style

@conference{csedu10,
author={Mengxin Song and Ping Guo and Shi Peng},
title={THE CROSS-PLATFORM QUANTUM CHEMISTRY SOFTWARE FOR COLLEGE CHEMISTRY EDUCATION},
booktitle={Proceedings of the 2nd International Conference on Computer Supported Education - Volume 1: CSEDU,},
year={2010},
pages={438-441},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0002793104380441},
isbn={978-989-674-023-8},
}


in EndNote Style

TY - CONF
JO - Proceedings of the 2nd International Conference on Computer Supported Education - Volume 1: CSEDU,
TI - THE CROSS-PLATFORM QUANTUM CHEMISTRY SOFTWARE FOR COLLEGE CHEMISTRY EDUCATION
SN - 978-989-674-023-8
AU - Song M.
AU - Guo P.
AU - Peng S.
PY - 2010
SP - 438
EP - 441
DO - 10.5220/0002793104380441