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…

Practical experiments enhance students' understanding of basic concepts and promote deep learning experiences in chemistry. The smartphone application of Lab4Chemistry was utilized to replace colorimeters with smartphone camera sensors. Low-cost and readily available materials, including anthocyanin (fresh red cabbage) and common kitchen…

A new undergraduate thin-layer chromatography laboratory experiment devoted to quantitative determination of disulfiram in Anticol formulation is presented. The proposed activity can be a part of a chromatographic methods of analysis course as well as a general chemistry course. To carry out a quantitative analysis, an image analysis technique was…

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…

This paper describes a digital application designed for learning Space Groups of Symmetry (SGS). It teaches how to recognize the operations performed by the symmetry elements, both point (or 2D) operators (proper and improper rotations, including mirroring, inversion, and other rotoinversions), and space (or 3D) operators (screw axes and glide…

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…

Calculating analytical uncertainties as a part of method validation is a relevant aspect of field and laboratory practices in instrumental analytical chemistry subjects, which usually require complex algorithms. This work describes the development and didactic use of an automatic and straightforward informatics tool, implemented in an Excel macro,…

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…

Students in an upper-level physical chemistry course utilized an open-sourced statistical software package to construct models fitted to experimental pressure-volume data. In the first part of the experiment, students familiarize themselves with model fitting. In the second part of the experiment, students determine which truncated version of the…

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…

Augmented reality (AR) filters are digital interactions applied to users' faces or environment to add to or change what they are seeing in the real world. By using free software, it is possible to easily make many AR filters for learning chemistry. Here I show how to make AR filters of molecular models and post them on social media in just two…

The rise of virtual and online education in recent years has led to the development and popularization of many online tools, notably three-dimensional (3D) models and augmented reality (AR), for visualizing various structures in chemical sciences. The majority of the developed tools focus on either small molecules or biological systems, as…

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…