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The Chemical Educator
ISSN: 1430-4171 (electronic version)
Abstract Volume 30
(2025) pp 78-84
Integrating WebMO in General Chemistry: Illustrating Molecular Properties with Simple Molecules through Computational Chemistry
Qurat Ul Ain,† Guillermo D. Ibarrola Recalde‡, David Harnish3, Edward Draper**, Muhammad Ali Hashmi, *,†,††, Ahmed Lakhani*,§
†Department of Chemistry, Division of Science & Technology, University of Education, 54770 Lahore, Pakistan, muhammad.hashmi@ue.edu.pk; ‡Learning Sciences Research, Digital Promise, 1001 Connecticut Avenue NW, Suite 935,Washington, D.C. 20036; §Department of Biomedical and Health Sciences, Calumet College of St. Joseph, 2400, New York Ave, Whiting, IN 46394, alakhani@ccsj.edu; **Department of Biological Sciences, Purdue University Northwest, 2200, 169th Street, Hammond, IN 46323; ††School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington 6012, New Zealand Received September 16, 2024. Accepted February 24, 2025.
Published: 7 August 2025
Abstract. In this study, the use of computational packages and WebMO to enhance student understanding of molecular properties, via hands-on simulations and associated calculations, were explored. Students were divided into groups and guided through three components: homonuclear diatomic molecules, heteronuclear diatomic molecules, and polyatomic molecules. The study’s overarching goal was to progressively introduce students to increasingly complex molecular systems, using a scaffolded approach, beginning with simple calculations to determine energy and bond lengths for basic molecules. Subsequently, students progressed to more intricate properties, such as dipole moments, before ultimately applying the knowledge acquired in the first two units to determine the same molecular properties of the complex molecules. Throughout the process, students successfully carried out various calculations and compared the computed values to the literature. Additionally, by introducing computational packages and WebMO into general chemistry courses, we aim to engage students in a more immersive and meaningful learning experience. The goal is to supplement traditional teaching methods and provide an alternative approach for students to explore and understand important molecular properties. This approach underscores the educational value of incorporating computational tools in the chemistry curriculum and encourages further exploration and development of similar teaching methods.
Key Words: Computers in Chemistry; general chemistry
(*) Corresponding author. (E-mail: muhammad.hashmi@ue.edu.pk)
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