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Stelz-Sullivan, Eleanor J.; Marchetti, Barbara; Karsili, Tolga – Education Sciences, 2022
Computational and atmospheric chemistry are two important branches of contemporary chemistry. With the present topical nature of climate change and global warming, it is more crucial than ever that students are aware of and exposed to atmospheric chemistry, with an emphasis on how modeling may aid in understanding how atmospherically relevant…
Descriptors: Computation, Chemistry, Science Education, Simulation
Fisher, Aidan A.E. – Journal of Chemical Education, 2019
Computational approaches toward simulating chemical systems and evaluating experimental data has gathered great momentum in recent years. The onset of more powerful computers and advanced software has been instrumental to this end. This manuscript presents a hands-on activity which trains students in basic coding skills within the Matlab…
Descriptors: Computer Software, Chemistry, Quantum Mechanics, Energy
Frey, E. Ramsey; Sygula, Andrzej; Hammer, Nathan I. – Journal of Chemical Education, 2014
This laboratory exercise introduces undergraduate chemistry majors to the spectroscopic and theoretical study of the polycyclic aromatic hydrocarbon (PAH), corannulene. Students explore the spectroscopic properties of corannulene using UV-vis and Raman vibrational spectroscopies. They compare their experimental results to simulated vibrational…
Descriptors: Undergraduate Students, Chemistry, Spectroscopy, Molecular Structure