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…

It is crucial nowadays to predict in a fast and simple manner physical-chemical behaviors like, the size-dependent optical properties of gold nanospheres (Au NSs). The idea behind this experiment is trying to replace (as much as possible) robust and expensive microscopy techniques with UV-vis spectrophotometry and friendly simulations. Students…

In this article, we construct a very simple double pendulum (the concept of a pendulum should be familiar to all beginning students of classical mechanics). Since a double pendulum has two degrees of freedom, we suggest that this pendulum can be used in the classroom environment to illustrate the concept of normal modes, and we use video software…

The process of diffusion is intimately related to random molecular displacement and is central to many problems in chemistry. Here, we provide an intuitive derivation of the diffusion equation based on the analysis of the random trajectories of particles generated and plotted by simple MATLAB and Python scripts. The codes are very simple and…

Energy is a disciplinary core idea and a cross-cutting concept in the K-12 Framework for Science Education and the Next Generation Science Standards (NGSS). As numerous authors point out, the energy model in these standards emphasizes the connections between energy and systems. Using energy ideas to interpret or make sense of phenomena means…

We report the design of a low-cost electrochemical workstation and open-source graphical user interface capable of performing a variety of electrochemical methods in an undergraduate teaching laboratory. The instrument--based on the popular Arduino microcontroller board--can be constructed from common components for $40 USD. The modular design of…

The introduction of Computational Chemistry via "Molecular Modelling and Drug Design" course at undergraduate level has opened wide possibilities for students to expand their knowledge of quantum chemistry, organic reaction mechanisms, protein-ligand interactions, drug design, and probable "in vivo" behavior of drug candidates.…

Solution equilibria diagrams are excellent tools for understanding chemical speciation in multireaction chemical systems. They are usually plotted using software packages that efficiently perform advanced calculations, giving the possibility to graphically visualize thermodynamic and composition information. However, this approach frequently…

The crystalline sponge method allows for direct and precise molecular structure determination of liquid and gaseous targets and thus has been recognized as a revolutionary breakthrough in crystallography. To expose undergraduates to this cutting-edge technique, we have developed a comprehensive laboratory experiment with reaction conditions and…

There are several ways in the literature to determine the value of gravitational acceleration. We used an audio plug (3.5-mm jack) that can be reused from types of plugs can also be purchased and are very cheap. In this article, a computer speaker or microphone that are damaged. These value of gravitational acceleration very accurately using…

Solar limb darkening is a prominent feature seen in white images of the Sun: the brightness of the solar disk is greatest at the solar center and decreases radially outward towards the limb. White light images can be used to examine and even model limb darkening; however, the limb-darkening effect is, in fact, wavelength dependent. Limb darkening…

The application of chemistry concepts in biological settings plays an important role in the interdisciplinary field of drug discovery and development. This is true for molecular docking, where an understanding of intermolecular forces and noncovalent interactions is useful for rational drug design and development. Here we report the design and use…

The image of free-falling bar has been recorded to study the effect of the motion on its observed length. This moving bar image is analysed using the Tracker software to determine its length and the end bar's position. An elongated appearance of the bar has been observed with movement. This effect relies on the speed and the exposure time during…

The eChem project features an e-book published as a web page (10.30746/978-91-988114-0-7), collecting a repository of Jupyter notebooks developed for the dual purpose of explaining and exploring the theory underlying computational chemistry in a highly interactive manner as well as providing a tutorial-based presentation of the complex workflows…

Organic reaction trajectories show atomic motion and molecular reorganization of reactants during a single product-forming collision. iORA is a free (available from the Apple App Store), easy to use, highly interactive iPhone application that provides on-the-fly 3Drendering of organic reaction trajectories calculated with density functional theory…