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This content will become publicly available on October 1, 2023

Title: The Impacts of the Molecular Education and Research Consortium in Undergraduate Computational Chemistry on the Careers of Women in Computational Chemistry
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Award ID(s):
1800014 2018427
Publication Date:
Journal Name:
Journal of Chemical Information and Modeling
Sponsoring Org:
National Science Foundation
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  1. Abstract Students in a second semester general chemistry course used quantum chemical calculations to investigate and reinforce general chemistry concepts. Students explored the isomers of hypochlorous acid, made predictions of miscibility via dipole moments calculated from ab-initio means, experimentally validated/disqualified their miscibility predictions, and used molecular models to visualize intermolecular attraction forces between various compounds. Student responses in pre-/post-exercise assessments show evidence of student learning. Responses in pre-/post-exercise surveys showed an increase in student understanding of basic concepts and of the importance of quantum mechanics in common general chemistry topics.