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Jacob S. Hirschi; Dayana Bashirova; Tim J. Zuehlsdorff – Journal of Chemical Education, 2023
Density functional theory (DFT) is indubitably the most popular and among the most successful approaches for approximately solving the many-electron Schro¨dinger equation. The level of understanding on the part of both researchers and students using DFT, however, is lacking, given the availability of black-box software. The present work addresses…
Descriptors: Equations (Mathematics), Problem Solving, Science Instruction, Chemistry
Shusen Chen; Jared Rossberg; Jeremiah Brown; Gabriel Reed; Nathan Todd; Allyson Yu; Steven A. Fleming; Daniel H. Ess – Journal of Chemical Education, 2023
Organic reaction trajectories show atomic motion and molecular reorganization of reactants during a single product-forming collision. iORA is a free (available from the Apple App Store), easy to use, highly interactive iPhone application that provides on-the-fly 3Drendering of organic reaction trajectories calculated with density functional theory…
Descriptors: Science Education, Scientific Concepts, Organic Chemistry, Web Sites
Eder José Assink Junior; Paulo Cesar de Jesus; Endler Marcel Borges – Journal of Chemical Education, 2023
Here, students determine the total protein content in whey protein samples using the Lowry assay. Quantitative analysis was carried out using absorbance measured at 750 nm (standard method) and 96-well-plate digital images obtained using smartphones (proposed method). The proposed method was carried out using two smartphones (1 and 2). Smartphone…
Descriptors: Chemistry, Science Education, Visual Aids, Handheld Devices
Pierre-Edouard Danjou; Saâd Bouhsina; Sylvain Billet; Francine Cazier-Dennin – Journal of Chemical Education, 2023
The year 2020 will be remembered as the year of COVID-19 and its subsequent lockdowns. The time to return to face-to-face teaching has arrived, but the shadow of the disease still hangs over teachers, students, and society. Disruption in teaching can still occur for students, or even teachers, if they are either diagnosed as COVID-19 positive or…
Descriptors: Synchronous Communication, Blended Learning, COVID-19, Pandemics
Monsurat M. Lawal; Tugba G. Kucukkal – Journal of Chemical Education, 2024
An undergraduate-level Computational Chemistry project was incorporated initially into a Physical Chemistry course and then into the laboratory curriculum in the subsequent application. Before the introduction of the project, the lectures covered quantum chemistry, spectroscopy, and kinetics while simultaneously including computational chemistry…
Descriptors: Chemistry, Science Instruction, Computation, Active Learning
David L. Myers; Marc Hill; Brooke Baughman; Eugene T. Smith – Journal of Chemical Education, 2023
This exercise encompassed the construction and use of a microcontroller-based laser refractometer. The instrument, which does not require a high skill level to build, primarily consisted of a line laser, optical sensor, several 3-D printed parts and printed circuit boards, and a microcontroller development board. Construction and testing of the…
Descriptors: Open Education, Lasers, Shared Resources and Services, Printing
Chatterjee, Sourav; Moon, Sooyeon; Rowlands, Amanda; Chin, Fred; Seeberger, Peter H.; Merbouh, Nabyl; Gilmore, Kerry – Journal of Chemical Education, 2021
While chemistry exists in three dimensions, it is presented in two. This down-conversion results in a significant loss in information and often necessitates multiple images/figures to convey the complexity, intricacy, and beauty of a given structure. Currently, three-dimensional models are built to allow students to interact with molecules.…
Descriptors: Chemistry, Science Instruction, Molecular Structure, Teaching Methods
Shane V. Crowley – Journal of Chemical Education, 2023
This paper outlines the design of an interactive simulation of Stokes' law, which is used frequently in the study of particle sedimentation and flotation. The software application includes dynamic visualizations and statistical outputs. Descriptions of how the simulation can be used in a teaching context are provided. The application and its…
Descriptors: Interaction, Simulation, Computer Software, Teaching Methods
Monika Skowron; Sylwia Smarzewska – Journal of Chemical Education, 2024
A new undergraduate thin-layer chromatography laboratory experiment devoted to quantitative determination of disulfiram in Anticol formulation is presented. The proposed activity can be a part of a chromatographic methods of analysis course as well as a general chemistry course. To carry out a quantitative analysis, an image analysis technique was…
Descriptors: Undergraduate Study, Chemistry, Science Education, College Science
Taskeen Hasrod; Yannick B. Nuapia; Hlanganani Tutu – Journal of Chemical Education, 2024
In order to improve the accessibility and user friendliness of an accurately pretrained stacking ensemble machine learning regressor used to predict sulfate levels (mg/L) in Acid Mine Drainage (AMD), a Graphical User Interface (GUI) was developed using Python by combining human input with ChatGPT and deployed in the Jupyter Notebook environment.…
Descriptors: Artificial Intelligence, Natural Language Processing, Educational Technology, Computer Software
Šarac, Bojan; Hadži, San – Journal of Chemical Education, 2021
A Microsoft Excel workbook has been developed to simplify the quantitative analysis of experimentally measured titration curves for diprotic and triprotic amino acids such as glycine, arginine, histidine, and glutamate. Students perform the titration, enter the data into the worksheet, and manually adjust the resulting pK[subscript a] values to…
Descriptors: Science Instruction, College Science, Undergraduate Study, Spreadsheets
JonathanP. Antle; Jerry T. Godbout; Scott Simpson – Journal of Chemical Education, 2022
Students in an upper-level physical chemistry course utilized an open-sourced statistical software package to construct models fitted to experimental pressure-volume data. In the first part of the experiment, students familiarize themselves with model fitting. In the second part of the experiment, students determine which truncated version of the…
Descriptors: Chemistry, Science Instruction, Models, Goodness of Fit
Morgan I. D. Johnson; Lavinia Mbongo; Amy J. Managh – Journal of Chemical Education, 2023
An ICP-MS simulation was developed to support the teaching of inductively coupled plasma-mass spectrometry. The app enables students to conduct the quantification of selenium in a nutritional supplement, monitor the uptake of metallodrugs by cells, and perform qualitative analysis of gunshot residue. The experiments teach a range of analytical…
Descriptors: Computer Software, Undergraduate Study, College Science, Science Education
Ulrich Briones-Guerash S.; Arturo Garci´a-Mendoza; Julio C. Aguilar-Cordero – Journal of Chemical Education, 2023
Solution equilibria diagrams are excellent tools for understanding chemical speciation in multireaction chemical systems. They are usually plotted using software packages that efficiently perform advanced calculations, giving the possibility to graphically visualize thermodynamic and composition information. However, this approach frequently…
Descriptors: Chemistry, Scientific Concepts, Visual Aids, Spreadsheets
Junxi Zou; Xiaoyu Wang; Xuan Liu; Yuan Zheng; Wei Shao; Qing-Wei Zhang; Pingping Zhu; Lingling Li – Journal of Chemical Education, 2024
The crystalline sponge method allows for direct and precise molecular structure determination of liquid and gaseous targets and thus has been recognized as a revolutionary breakthrough in crystallography. To expose undergraduates to this cutting-edge technique, we have developed a comprehensive laboratory experiment with reaction conditions and…
Descriptors: Undergraduate Study, College Science, Laboratory Experiments, Molecular Structure