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Defining Areas of Interest in Organic Chemistry Education Eye-Tracking Research
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Axel Langner; Lea Sophie Hain; Nicole Graulich – Journal of Chemical Education, 2025
Often, eye-tracking researchers define areas of interest (AOIs) to analyze eye-tracking data. Although AOIs can be defined with systematic methods, researchers in organic chemistry education eye-tracking research often define them manually, as the semantic composition of the stimulus must be considered. Still, defining appropriate AOIs during data…
Descriptors: Organic Chemistry, Science Education, Eye Movements, Educational Research
Dynamics of a Free Particle Using Classical Computing and Quantum Computing: Introducing Quantum Computing to Chemistry Students
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Atanu Bhattacharya; Kalyan Dasgupta; Binoy Paine – Journal of Chemical Education, 2024
In this paper, we present a computational chemistry project that demonstrates the quantum dynamics of a free particle, using both classical and quantum computing algorithms. This project can be used in a computational quantum chemistry course in which the instructor introduces quantum computing. Students write their own programs to simulate the…
Descriptors: Chemistry, Science Education, Quantum Mechanics, Computer Science
Exploring Machine Learning in Chemistry through the Classification of Spectra: An Undergraduate Project
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Alanah Grant St. James; Luke Hand; Thomas Mills; Liwen Song; Annabel S. J. Brunt; Patrick E. Bergstrom Mann; Andrew F. Worrall; Malcolm I. Stewart; Claire Vallance – Journal of Chemical Education, 2023
Applications of machine learning in chemistry are many and varied, from prediction of structure-property relationships, to modeling of potential energy surfaces for large scale atomistic simulations. We describe a generalized approach for the application of machine learning to the classification of spectra which can be used as the basis for a wide…
Descriptors: Artificial Intelligence, Chemistry, Science Instruction, Classification
How to Characterize 4-90 nm Size Gold Nanospheres with Experimental and Simulated UV-Vis and a Single SEM Image
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Josefina Ventre; Agustina L. Renna; Francisco J. Ibañez – Journal of Chemical Education, 2023
It is crucial nowadays to predict in a fast and simple manner physical-chemical behaviors like, the size-dependent optical properties of gold nanospheres (Au NSs). The idea behind this experiment is trying to replace (as much as possible) robust and expensive microscopy techniques with UV-vis spectrophotometry and friendly simulations. Students…
Descriptors: Chemistry, Prediction, Science Experiments, Spectroscopy
A Refined Redox Titration Simulation Program for the Simple System
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Qiang Fu; Li Liu; Guofu Wang; Jing Yu; Shiyuan Fu – Journal of Chemical Education, 2023
Commonly used methods to simulate the oxidation-reduction (redox) titration curves include the three-step method and the rigorous method. The simple three-step method simulates the redox titration curve with the assumption that the reaction is complete, which is widely used in undergraduate quantitative analysis courses. For the rigorous…
Descriptors: Chemistry, Simulation, College Science, Undergraduate Students
Simulation Game Illustrating the Density-Le Cha^telier Effect on a Chemical Equilibrium of the Type A [equilibrium] 2B
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Thomas Kraska – Journal of Chemical Education, 2022
An educational lattice model is proposed for the investigation of the influence of the density and indirectly of the pressure on the chemical equilibrium of the ideal gas phase reaction A [equilibrium] 2B. The model can be introduced by a board game simulating a stochastic process. This game can also be used to set up a corresponding computer…
Descriptors: Secondary School Students, Secondary School Science, Chemistry, Science Instruction
Practical Guide to Chemometric Analysis of Optical Spectroscopic Data
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Hope E. Lackey; Rachel L. Sell; Gilbert L. Nelson; Thomas A. Bryan; Amanda M. Lines; Samuel A. Bryan – Journal of Chemical Education, 2023
The methodology and mathematical treatment of several classic multivariate methods for the analysis of spectroscopic data is demonstrated in a straightforward way that can be used as a basis for teaching an undergraduate introductory course on chemometric analysis. The multivariate techniques of classical least-squares (CLS), principal component…
Descriptors: Chemistry, Data Analysis, Optics, Lighting
Increasing Computational Protein Design Literacy through Cohort-Based Learning for Undergraduate Students
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Erin C. Yang; Robby Divine; Christine S. Kang; Sidney Chan; Elijah Arenas; Zoe Subol; Peter Tinker; Hayden Manninen; Alicia Feichtenbiner; Talal Mustafa; Julia Hallowell; Isiac Orr; Hugh Haddox; Brian Koepnick; Jacob O'Connor; Ian C. Haydon; Karla-Luise Herpoldt; Kandise Van Wormer; Celine Abell; David Baker; Alena Khmelinskaia; Neil P. King – Journal of Chemical Education, 2022
Undergraduate research experiences can improve student success in graduate education and STEM careers. During the COVID-19 pandemic, undergraduate researchers at our institution and many others lost their work-study research positions due to interruption of in-person research activities. This imposed a financial burden on the students and…
Descriptors: Undergraduate Students, Teaching Methods, COVID-19, Pandemics