VibHam is an adaptable and user-friendly program designed for advanced diatomic molecule spectroscopy beyond the harmonic oscillator approximation. It employs numerical solutions to the rovibrational Schrödinger equation, accurately reproducing spectroscopic constants and offering insights into rovibrational wave functions, energy levels, and…

This computational exercise gives students an in-depth look at the reactants, transition state, and product of the crystal violet alkaline hydrolysis reaction. The exercise, which is aimed at second semester general chemistry students, involves DFT energy calculations on five structures: crystal violet cation, crystal violet alcohol, and 4-water…

Digital learning tools and laboratory simulations have been an area of great interest not only due to the advancements of at-home learning but also by allowing students and institutions access to experiences they would not have otherwise due to the high cost of commercial instrumentation. The need for online learning tools became especially…

In a typical undergraduate biochemistry course, two main educational objectives include (1) understanding and applying how genetic mutations can influence protein structure and function, and (2) examining metabolic pathways of biomolecules to study cellular storage and fuel. Many times, these topics can seem disparate to students; therefore, we…

DockIT is an interactive molecular docking tool suitable for teaching students about concepts related to drug-receptor interaction. Its most unique feature is the ability to model both local and global conformational change in the receptor based on information derived from the trajectory of a molecular dynamics (MD) simulation. The workshop…

In order to improve the accessibility and user friendliness of an accurately pretrained stacking ensemble machine learning regressor used to predict sulfate levels (mg/L) in Acid Mine Drainage (AMD), a Graphical User Interface (GUI) was developed using Python by combining human input with ChatGPT and deployed in the Jupyter Notebook environment.…

Video games and immersive, narrative experiences are often called upon to help students understand difficult scientific concepts, such as sense of scale. However, the development of educational video games requires expertise and, frequently, a sizable budget. Here, we report on the use of an interactive text-style video game, NanoAdventure, to…

A virtual Game-Based Tournament of Chemistry was developed as an alternative to the traditional problem-solving classes to aid students in reviewing and understanding organic acidity and basicity concepts. The tournament was based on a multilingual virtual board game (English, Portuguese, French, and Italian) which aimed to facilitate students'…

An increased reliance on nanotechnology and recent developments in materials fabrication coincide with a greater prevalence of 3D printers in high schools. We developed this lesson to foster an exploration of interdisciplinary fields and to increase access to recent advances in materials chemistry through two different learning modules. The lab…

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…

This study introduces a modernized approach to classical volumetric titrations for the undergraduate chemistry curriculum. Leveraging smartphones and digital top-loading balances, we performed mass-based titrations and determined end points using digital color measurements. Our aim was to make classical wet chemistry more accessible and engaging…

Pedagogical research over the past decade has shown that chemistry courses have high failure rates and low accessibility. The implementation of novel active-learning approaches has great potential to offset these trends. Fundamental concepts that serve as "pinch points" are ripe targets for designing innovative, gamified course materials…

The Next Generation Science Standards encourage students to develop the reasoning and practice skills of scientists. Rather than promoting rote memorization, teachers engage students with real-world phenomena and prompt students to think critically. ChemVLab+ is a series of freely available, online modules that require students to reason like…

An integrated inorganic chemistry laboratory experience focusing on heterogeneous electrocatalysis with nickel (Ni)- and cobalt (Co)-based electrocatalysts is designed for upper-division, major-level chemistry students. In this laboratory, students will be guided through the fabrication of an indium tin oxide (ITO)-coated glass working electrode,…

Ultrafast laser spectroscopy is a valuable and increasingly accessible technique for studies of rapid chemical reactions. Critical to ultrafast spectroscopy is the concept of mode locking, a technique that enables a fixed phase relationship between laser modes, resulting in laser pulses with very short duration (in the fs or ps range). Despite the…