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,…

We report an educational tool for the upper level undergraduate quantum chemistry or quantum physics course that uses a symbolic approach via the PySyComp Python library. The tool covers both time-independent and time-dependent quantum chemistry, with the latter rarely considered in the foundations course due to topic complexity. We use quantized…

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…

Multicomponent solution calculations can be complicated for students and practiced chemists alike. This article describes how to simplify the calculations by representing a solution's composition as a point in a "concentration space," whose axes are the concentrations of each solute. The graphical representation of mixing processes in a…

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…

Student performance on open-response calculations involving acid and base solutions before and after instruction in general chemistry and analytical chemistry courses was compared with the output from the artificial intelligence chatbot ChatGPT. Applying a theoretical model of expertise for problem solving that includes problem conceptualization,…

Student-centered teaching has become increasingly common in higher education as researchers have demonstrated its efficacy in recent decades. Herein, we hope to establish an efficient problem-based learning (PBL) method, which can help upper-division students learn organic chemistry content by combining teaching materials, experimental literature,…

For the least-squares analysis of data having multiple uncertain variables, the generally accepted best solution comes from minimizing the sum of weighted squared residuals over all uncertain variables, with, for example, weights in x[subscript i] taken as inversely proportional to the variance [delta][subscript xi][superscript 2]. A complication…

On the basis of the results of two prior studies at the US Naval Academy (USNA), which described the choice of study resources and the self-reported learning approaches of students of differing achievement levels, the current investigation examines how students of differing achievement levels in general chemistry actually solve multiple-choice…

The usefulness of the JANAF tables is demonstrated with specific equilibrium calculations. An emphasis is placed on the nature of standard chemical potential calculations. Also, the use of the JANAF tables for calculating partition functions is examined. In the partition function calculations, the importance of the zero of energy is highlighted.

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…

It is not uncommon for students to view laboratory instruments as black boxes. Unfortunately, this can often result in poor experimental results and interpretation. To tackle this issue, a laboratory course was designed to enable students not only to critically think about operating principles of the instrument but also to improve interpretation…

Acid-base equilibrium is one of the most important and most challenging topics in a typical general chemistry course. This article introduces an alternative to the algebraic approach generally used in textbooks, the graphical log "C" method. Log "C" diagrams provide conceptual insight into the behavior of aqueous acid-base systems and allow…

A method of solving the Schrodinger equation using a basis set expansion is described and used to calculate energy levels and wavefunctions of the hindered rotation of ethane and the ring puckering of cyclopentene. The calculations were performed using a computer algebra package and the calculations are straightforward enough for undergraduates to…