Modifications are presented for the iodine clock reaction to introduce the concept of activity and to help students better appreciate molecular aspects of chemical equilibrium. The addition of an unreactive salt affects the activity of the reactants in the iodine clock reaction. The difference in activity affects how long the iodine clock reaction…

As a widely applied theory that has found success across many fields, density functional theory (DFT) is largely taught. Typically, the most effective way to convey DFT concepts is through illustrative examples that are currently lacking in available resources. In this work, we demonstrate total energy calculations for H[subscript 2] using…

Auxiliary Tanabe-Sugano diagrams are presented. They enable a rapid and reliable graphical derivation of Dq/B and C/B crystal field parameter ratios from spectroscopic data. Using these values, one can calculate Dq and B by employing the original Tanabe-Sugano diagrams. Subsequently, C can also be calculated irrespective of the value C/B fixed in…

Benzoin, an [alpha]-hydroxy ketone, is stereoselectively reduced by sodium borohydride to yield hydrobenzoin, the stereochemistry of which is determined by acetalization and analysis of the derivative by NMR spectroscopy. This classical experiment has been enhanced by modern spectroscopic and computational analysis to enable students to…

For solid solutions with the same arrangement of atoms, the size of a unit cell depends on the size of the atoms in the unit cell. The distance between nuclei also helps determine how strongly electrons are held, which changes the band gap energy. Samples of semiconductor CH[subscript 3]NH[subscript3]Pb(I[subscript…

The concepts taught in an undergraduate physical chemistry course are directly related to the molecular processes governing climate change, yet the connections between quantum mechanical molecular properties and global warming are rarely made explicit. To improve student knowledge about climate change, we developed a three-part activity that…

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,…

Recent progress in elucidating chemical reactions allows to explain chemistry by the potential energy of the involved chemical structures. Nevertheless, from an educational point of view, empirical results indicate that students often do not connect the core idea of energy with other chemical concepts. From a resource-oriented perspective,…

Molecules and Computer: Chemistry Calculations in Class (MC[superscript 4]) is a computational laboratory intended for final-year high school or undergraduate students. The topic is the antioxidant potential of anthocyanidins, which is chemically related to their radical scavenging action via the mechanism of hydrogen atom transfer (HAT). This…

The contemporary Human activity utilizes huge volumes of digital data to solve efficiently multiple socio-economic, scientific and technical problems. Now the big data analysis is mainly oriented to the socioeconomic sphere with a goal to lift the profit. The science and technology to penetrate deeper in the nature of objects and systems under…

Abundant prior research has compared effects of physical and virtual manipulatives on students' conceptual learning. However, most prior research has been based on conceptual salience theory; that is, it has explained mode effects by the manipulative's capability to draw students' attention to conceptually relevant (visual or haptic) features.…

One of the goals of science education is to help students make sense of the world around them. To that end, it is critical that students understand the central ideas in each discipline like, in chemistry, energy and interactions. These ideas are of particular importance because they are directly related to one another and are relevant across other…

The growing popularity of flipped, blended, and online learning, combined with the need to support a student population with increasingly diverse backgrounds, has led to the development and use of online materials to support students' learning of chemistry outside of a face-to-face classroom. Chemistry simulations provide opportunities to make…

For six semesters, activities have been incorporated into first year general chemistry courses in an effort to build student conceptual chemistry knowledge. The activities follow a learning cycle pedagogy (similar to Process Oriented Guided Inquiry Learning or POGIL activities) and consist of guiding questions involving animations, models,…