Activation energies form an energy barrier to a chemical reaction taking place. Simple collision theory, i.e. that particles need to collide to react, would suggest that activation energy is the energy needed to overcome a coulombic barrier provided by the negatively charged electrons contained within energy shells surrounding an atomic nucleus.…

Computational molecular docking is a fast and effective "in silico" method for the analysis of binding between a protein receptor model and a ligand. The visualization and manipulation of protein to ligand binding in three-dimensional space represents a powerful tool in the biochemistry curriculum to enhance student learning. The…

A quick survey of physics textbooks shows that many (Knight, Young, and Serway for example) cover estimation, significant digits, precision versus accuracy, and uncertainty in the first chapter. Estimation "Fermi" questions are so useful that there has been a column dedicated to them in "TPT" (Larry Weinstein's "Fermi…

This paper describes a high school or introductory university course in scientific programming that introduces the computer revolution into the physics curriculum at the beginning. In the first one-hour lecture, Euler's method is presented and used to compute a solution to the analytically unsolvable two-body problem. In the remainder of the…

As science becomes increasingly computationally intensive, the need for computational thinking (CT) and computer science (CS) practices in K-12 science education is becoming paramount. Incorporation of CT/CS practices in K-12 education can be seen in national standards and a variety of allied initiatives. One way to build capacity around an…

Computational thinking (CT) is a way of making sense of the natural world and problem solving with computer science concepts and skills. Although CT and science integrations have been called for in the literature, empirical investigations of such integrations are lacking. Prior work in natural selection education indicates students struggle to…

As chemists, we understand that science is more than a set of disconnected facts. It is a way of investigating and understanding our natural world that involves things like asking questions, analyzing data, identifying patterns, constructing explanations, developing and using models, and applying core concepts to other situations. This paper uses…

Providing exposure to the process and methods of science is a fundamental goal of any general education college science course. This is largely because most students taking such courses are generally "not" science majors, so they are likely to take few, if any, other science courses. Meeting this goal can be a challenge in courses such…

Inquiry-based practical work (IBPW) is one of the innovative instructional strategies in science education. Science teacher preparation programmes play a role in preparing preservice teachers to facilitate IBPW in classrooms located in different school settings, including multiple-deprived classrooms. The adverse conditions against the successful…

Computational thinking (CT) is one of the systematic tools in problem solving and widely accepted as an important skill in the 21st century. This study aimed to identify the effectiveness of the Chemistry Computational Thinking (CT-CHEM) Module on achievement in chemistry. This study also employed a quasi-experimental design with the participation…

Incorporating computational thinking (CT) ideas into core subjects, such as mathematics and science, is one way of bringing early computer science (CS) education into elementary school. Minimal research has explored how teachers can translate their knowledge of CT into practice to create opportunities for their students to engage in CT during…

The purpose of this descriptive case study was to develop pre-service chemistry teachers' Technological Pedagogical Science Knowledge (TPASK) through novel computational chemistry modules. The study consisted of two phases starting with designing a computational chemistry based learning environment followed by a case study where students'…

Journal impact factors are a metric often used to evaluate journals; they are calculated by considering a journal's citation and publication rates during a specified time period. In some cases, impact factors can be misleading because they do not take into account the publication of different types of papers. In the "Journal of Chemical…

This two-period undergraduate laboratory experiment involves the synthesis of a mixture of isomeric unknowns, isolation of the mixture by means of distillation, and characterization of the two products primarily by NMR spectroscopy (1D and 2D) supported with IR spectroscopy and GC-MS techniques. Subsequent calculation and examination of the…

The "Yet Another extended Hu¨ckel Molecular Orbital Package" (YAeHMOP) has been merged with the Avogadro open-source molecular editor and visualizer. It is now possible to perform YAeHMOP calculations directly from the Avogadro graphical user interface for materials that are periodic in one, two, or three dimensions, and to visualize…