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…

Structures of 10 proteins from the Protein Data Bank were 3D printed as part of an undergraduate biochemistry teaching laboratory. All structures were successfully printed in either a space filling surface representation or a cartoon representation that traces the Ca carbon atoms of each amino acid residue. All structures were printed using…

The goal of undergraduate chemistry laboratories is to allow students to learn about chemical systems and key laboratory skills. They should then apply this knowledge to solve problems and connect macroscopic observations in the laboratory with those occurring at the submicroscopic level. Unfortunately, these needs are not met through traditional…

An augmented reality (AR) application and an activity worksheet have been developed to support students in visualizing the concepts involved when solving [superscript 1]H NMR problems. This instructional resource was designed to encourage conceptual problem-solving and prevent memorization by eliminating the use of chemical shift tables. It uses…

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.…

Diluting a system with metal complexes can sometimes cause free metal ions to increase in concentration. This paper describes "metal ion anti-buffering", a situation in which free metal ion concentrations rapidly increase as system dilution drives dissociation. It only occurs under excess free ligand conditions when a solution is…

An application for visualizing the aggregation of structureless atoms is presented. The application allows us to demonstrate on a qualitative basis, as well as by quantitatively monitoring the aggregate surface/volume ratio, that the enhanced reactivity of nanoparticles can be connected with their large specific surface. It is suggested that,…

The "Yet Another extended Hu¨ckel Molecular Orbital Package" (YAeHMOP) has been merged with the Avogadro open-source molecular editor and visualizer. It is now possible to perform YAeHMOP calculations directly from the Avogadro graphical user interface for materials that are periodic in one, two, or three dimensions, and to visualize…

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…

Students undertaking courses in the field of chemistry need to integrate their spatial skills and conceptual knowledge. However, model perception along with the understanding of spatial processes and spatial structures of molecules has been a cause of difficulty for students as conventional teaching methods cannot fully aid student comprehension.…

This article summarizes an investigation into how Flash-based cartoon video tutorials featuring molecular visualizations affect students' mental models of acetic acid and hydrochloric acid solutions and how the acids respond when tested for electrical conductance. Variation theory served as the theoretical framework for examining how students…

A 3D model visualization and basic molecular modeling laboratory suitable for first-year undergraduates studying introductory medicinal chemistry is presented. The 2 h practical is embedded within a series of lectures on drug design, target-drug interactions, enzymes, receptors, nucleic acids, and basic pharmacokinetics. Serving as a teaching aid…

Molecular visualizations have been widely endorsed by many chemical educators as an efficient way to convey the dynamic and atomic-level details of chemistry events. Research indicates that students who use molecular visualizations are able to incorporate most of the intended features of the animations into their explanations. However, studies…

This study measures changes in teachers' attitudes, content knowledge, and spatial ability following a two-year visualization workshop experience. The workshop involved intensive, half-day sessions over three weeks for two consecutive summers, in which the participants worked with three-dimensional models and computer-generated images. No changes…