Metamodeling ideas move beyond using a model to solve a problem to consider the nature and purpose of a model, such as reasoning about a model's empirical basis and understanding why and how a model might change or be replaced. Given that chemistry relies heavily on the use of models to describe particulate-level phenomena, developing…

We report a simple means to build a model atomic force microscope (AFM) using 3D printing of thermoplastic materials that are commercially available. The model has many of the key parts of an actual AFM including a z-axis stage, an AFM head with a cantilever assembly, and a laser source that reflects off of the back of the cantilever. Using a…

Excluded-volume interactions are ubiquitous to modeling the average size of polymers in solution. This paper shows how simulations can be used by students to explore the emergence of mathematical scaling relations from excluded-volume interactions. Simulations provide robust visual representations of the system, and can be used to investigate a…

Sets of models of molecules (which are of interest for teaching molecular structure, symmetry, and related topics in many chemical disciplines) were prepared and made available either for self-directed 3D-printing or through the 3D-printing company Shapeways providing 3D-printing as a service. This allows teachers to save time on searching for…

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…

Preparation of an inexpensive model set from whiteboard markers and either HGS molecular model set or atoms made of wood is described. The model set is relatively easy to prepare and is sufficiently large to be suitable as an instructor set for use in lectures.

Principal component analysis (PCA) is one of the most important and powerful methods in chemometrics as well as in a wealth of other areas. Running a PCA results in two main elements, the score plot and the loading plot; the score plot provides the location of the samples, and the loading plot indicates correlations among variables, the trends in…

Numerous computational and spectroscopic studies have demonstrated the decisive role played by nonadiabatic coupling in photochemical reactions. Nonadiabatic coupling drives photochemistry when potential energy surfaces are nearly degenerate at avoided crossings or truly degenerate at unavoided crossings. The dynamics induced by nonadiabatic…

A hands-on activity appropriate for first-semester general chemistry students is presented that combines traditional VSEPR methods of predicting molecular geometries with introductory use of molecular modeling. Students analyze a series of previously calculated output files consisting of several molecules each in various geometries. Each structure…

A vectorial representation of the full sequence of events occurring during the 2D-NMR heteronuclear single-quantum correlation (HSQC) experiment is presented. The proposed vectorial representation conveys an understanding of the magnetization evolution during the HSQC pulse sequence for those who have little or no quantum mechanical background.…

With the release of the Next Generation Science Standards, high school chemistry teachers are now pondering the implications of their recommendations for their teaching. They may agree that traditional instruction, as the Framework points out, "emphasizes discrete facts with a focus on breadth over depth, and does not provide students with…

The coupling of a student experiment involving the preparation and use of a catalyst for the asymmetric epoxidation of an alkene with computational simulations of various properties of the resulting epoxide is set out in the form of a software toolbox from which students select appropriate components. At the core of these are the computational…

A homology modeling laboratory experiment has been developed for an introductory molecular modeling course for upper-division undergraduate chemistry students. With this experiment, students gain practical experience in homology model preparation and assessment as well as in protein visualization using the educational version of PyMOL…

Traditional methods for teaching the Lewis dot structure model emphasize rule-based learning and often neglect the purpose and function of the model. Thus, many students are unable to extend their understanding of molecular structures in new contexts. The assignment described here addresses this issue by asking students to read and write about the…

Both, virtual and printed 3D crystal models can help students and teachers deal with chemical education topics such as symmetry and point groups. In the present paper, two freely downloadable tools (interactive PDF files and a mobile app) are presented as examples of the application of 3D design to study point-symmetry. The use of 3D printing to…