FINDIF is a Windows application that numerically solves the one-dimensional (1D) Schrödinger equation and displays the eigenstates, eigenvalues, and probability density of the system. FINDIF accepts both nonperiodic and periodic 1D potential energy functions as input and uses the finite difference method to evaluate the energy of the quantum…

Understanding the relationship between protein structure and function can be challenging for students. Molecular visualization software aids students in this problem by allowing manipulation of structures from new and deeper perspectives. In this communication, an activity using iMolview Lite, structure visualization software for portable devices,…

A new program, ECEP2D, for simulating the one-dimensional (1D) and two-dimensional (2D) patterns of the gel electrophoresis of a protein after it has been digested by one or more enzymes is introduced. With ECEP2D, students can gain deeper insights into gel electrophoresis by performing hands-on simulations. For example, students can visualize how…

At an advanced stage of learning quantum chemistry, undergraduate students usually encounter simple Hückel-molecular-orbital (HMO) theory, whose primitive approach gives very useful insight into the electronic structure of p-conjugated molecules. However, on one hand, computational HMO software, when programmed without using molecular symmetry,…

Facile visualization of biomolecules is an essential component of the undergraduate biochemistry curriculum. In the past, a number of tools have been used to display biomolecules. More recently, the advent of greater accessibility to virtual reality (VR) and augmented reality (AR) programs has created a new mechanism to visualize biomolecules.…

Using tangible models to help students visualize chemical structures in three dimensions has been a mainstay of chemistry education for many years. Conventional chemistry modeling kits are, however, limited in the types and accuracy of the molecules, bonds and structures they can be used to build. The recent development of 3D printing technology…

Visualization of three-dimensional (3D) elements has always played a huge role in chemistry education. At the same time, it is a challenge to teach with most representations being shown in two-dimensional (2D) media. With the recent rise of extended reality (XR) that includes virtual and augmented reality (VR/AR) technology in higher education,…

Introductory chemistry students encounter the concept of hybrid orbitals as a transition from atomic orbitals to molecular bonding. The principal purpose of learning hybridization in the undergraduate curriculum is to impart an understanding of the origins of molecular bonding and geometry. Physical models of both individual hybrid orbitals and…

We present a simple procedure to make an augmented reality app to visualize any chemical 3D model. The molecular structure may be based on crystallographic data or from computational modeling. This guide is made in such a way that no programming skills are needed, and the procedure uses free software and provides a way to visualize 3D structures…

Species TOPOS is a free software package for generating three-dimensional (3-D) topographic surfaces ("topos") for acid-base equilibrium studies. This upgrade adds 3-D species distribution topos to earlier surfaces that showed pH and buffer capacity behavior during titration and dilution procedures. It constructs topos by plotting…

This manuscript presents an exercise that utilizes mathematical software to explore Fourier transforms in the context of model quantum mechanical systems, thus providing a deeper mathematical understanding of relevant information often introduced and treated as a "black-box" in analytical chemistry courses. The exercise is given to…

Thermodynamic processes are complex phenomena that can be understood as a set of successive stages. When treating processes, classical thermodynamics (and most particularly, the Gibbsian formulation, predominantly used in chemistry) only pays attention to initial and final states. However, reintroducing the notion of process is absolutely…

Advances in 3D printing technology over the past decade have led to its expansion into all subfields of science, including chemistry. This technology provides useful teaching tools that facilitate communication of difficult chemical concepts to students and researchers. Presented here is the use of 3D printing technology to create tangible models…

To provide a research-like experience to upper-division undergraduate students in a biochemistry teaching laboratory, isothermal titration calorimetry (ITC) is employed to determine the binding constants of lysozyme and its inhibitors, N-acetyl glucosamine trimer (NAG[subscript 3]) and monomer (NAG). The extremely weak binding of lysozyme/NAG is…

Chemists have used computational science methodologies for a number of decades and their utility continues to be unabated. For this reason we developed an advanced lab in computational chemistry in which students gain understanding of general strengths and weaknesses of computation-based chemistry by working through a specific research problem.…