Gaussian-2-Blender is an open-source application programming interface (API) written in Python that allows for the conversion of Gaussian input files to 3D objects of different formats. This new tool was developed in response to the shortcomings of available programs to import Gaussian calculations into augmented reality (AR) or virtual reality…

Theoretical and practical foundations of basic electrochemical concepts of heterogeneous charge transfer reactions that underline electrochemical processes are presented for their detailed study by undergraduate and postgraduate students. Several simple methods for calculating key variables, such as the half-wave potential, limiting current, and…

Understanding the physicochemical properties of organic compounds with potential biological uses is central in current research topics. Thus, students must pursue the integration of different fields of chemistry to obtain and understand the physicochemical parameters that characterize the mechanism of action of key organics compounds. This…

A qualitative sugar identification laboratory was adapted from a hands-on experiment to a virtual "choose your own adventure" experience where students select virtual experiments to conduct on samples of known and unknown carbohydrates. Students select positive and negative controls for each qualitative test and compare results from the…

The Databank of Dynamics Trajectories (DDT, notthatddt.org) was established to assist students in visualizing the dynamical behaviors occurring during chemical reactions and conformational changes, with a focus on processes taught in introductory organic chemistry classes. Animations of reacting molecules created using "ab initio"…

Despite the growing importance of nanomaterials in numerous industries, most undergraduate chemistry students are unlikely to encounter characterization techniques common in the field during their education. Scanning electron microscopy (SEM) is a common technique for materials characterization widely used in careers chemistry students are likely…

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…

A set of web-based stereochemistry tools which help students use virtual 3D models to translate Newman projections and chair conformations and assign "R/S" labels to stereocenters from 2D dashed-wedged structures is described. These tools are unique in the way they link 2D dashed-wedged structures to 3D models to help students develop…

Proper sampling techniques are of the utmost importance in obtaining accurate and precise results in chemical analysis. A Python language computer simulation providing fast feedback on sampling concepts and statistics was delivered to students through Google Colab. Students used the simulation to aid in their exploration of sampling and sampling…

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…

This paper presents MATLAB user interfaces for two multiphase kinetic models: the kinetic double-layer model of aerosol surface chemistry and gas--particle interactions (K2-SURF) and the kinetic multilayer model of aerosol surface and bulk chemistry (KM-SUB). Each interface has simple and user-friendly features that allow undergraduate and…

An experiment for the undergraduate physical chemistry laboratory is described in which the Raman spectrum of liquid "para"-difluorobenzene is recorded and assigned. A density functional theory (DFT) calculation of the 30 normal modes of the molecule is undertaken using computational chemistry software. Students use group theory to…

The drive in computational methods and more intuitive software has seen a rise in the number of publications in this area in recent years. Computational simulations can be found in many areas of science from computational biology and chemistry to fundamental physics. These may help synthetic chemists in their drug discovery endeavors and…

Teaching through experiments has always been an indispensable teaching method in chemistry and other STEM disciplines. Letting more students have access to experiments at the frontier of scientific research is essential to stimulating students' interest in chemistry. With the advancement of computer technology, virtual simulation experiments…

Interactive molecular dynamics in virtual reality (IMD-VR) simulations provide a digital molecular playground for students as an alternative or complement to traditional molecular modeling kits or 2D illustrations. Previous IMD-VR studies have used molecular mechanics to enable simulations of macromolecules such as proteins and nanostructures for…