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Direct linkMatthew D. Hanson; Daniel P. Miller; Cholavardhan Kondeti; Adam Brown; Eva Zurek; Scott Simpson – Journal of Chemical Education, 2023
In this article, we describe a fully computational laboratory exercise that results in an increase of students' understanding of what quantum chemical geometry optimization calculations are doing to find minimum energy structures. This laboratory exercise was conducted several times over multiple years at a small private undergraduate institution,…
Descriptors: Undergraduate Students, Geometry, Chemistry, Science Education
