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…

In today's global economy, the origin of the food we eat is becoming more and more difficult to identify. Verifying the authenticity of products to protect supply chains is a complicated problem that requires a multidisciplinary approach. Chemical authentication of foodstuffs often includes a mass spectrometer detector; however, they are costly…

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…

This report showcases a new type of online homework system that provides students with a free-form interface and dynamic feedback. The ORCCA Tutor (Open-Response Chemistry Cognitive Assistance Tutor) is a production rules-based online tutoring system utilizing the Cognitive Tutoring Authoring Tools (CTAT) developed by Carnegie Mellon University.…

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…

Industrial drug discovery teams encompass scientists from multiple specialties and require participants to communicate effectively across disciplinary boundaries. In this paper, we present an undergraduate or graduate classroom simulation of this environment. Over a series of five workshops, student teams of mixed scientific backgrounds perform…

A bachelor's degree program in chemistry typically starts with basic concepts in mathematics, physics, and chemistry. Those principles are very important because they pave the ground for future advanced studies and, therefore, one needs to present them in a clear but rigorous way. One example is provided by the mathematical notion of an iterative…

Here, we present an interdisciplinary educational project intended for high school chemistry that is focused on the establishment of a mathematical model to describe the relationship between conductivity and concentration, while linking chemistry to mathematics with the help of computer software. The project was designed to help high school…

The oxidation of iron is an important reaction due to its high economic impact. In this laboratory exploration, the total order of this reaction was determined using commercially available handwarmer packets that rely on the iron-oxygen reaction to generate heat. The active ingredient in the handwarmer packet is iron, which interacts with…

The Spring 2020 semester will be marked in our history as one of the most challenging semesters for higher education, although through the adversity, we were presented with opportunities for classroom innovation. A reflective account of the teaching insights gained from implementing a COVID-19 miniunit and utilizing remote oral examinations is…

The method of least squares (LS) yields exact solutions for the adjustable parameters when the number of data values n equals the number of parameters "p". This holds also when the fit model consists of "m" different equations and "m = p", which means that LS algorithms can be used to obtain solutions to systems of…

The Scientific Computing for Chemists course taught at Wabash College teaches chemistry students to use the Python programming language, Jupyter notebooks, and a number of common Python scientific libraries to process, analyze, and visualize data. Assuming no prior programming experience, the course introduces students to basic programming and…

The method of least-squares (LS) has a built-in procedure for estimating the standard errors (SEs) of the adjustable parameters in the fit model: They are the square roots of the diagonal elements of the covariance matrix. This means that one can use least-squares to obtain numerical values of propagated errors by defining the target quantities as…

This study was designed to evaluate the effects of a proprietary software program on students' conceptual and visual understanding of dimensional analysis. The participants in the study were high school general chemistry students enrolled in two public schools with different demographics (School A and School B) in the Chattanooga, Tennessee,…

Complex error propagation is reduced to formula and data entry into a Mathcad worksheet or an Excel spreadsheet. The Mathcad routine uses both symbolic calculus analysis and Monte Carlo methods to propagate errors in a formula of up to four variables. Graphical output is used to clarify the contributions to the final error of each of the…