Computer programming is essential nowadays but still challenging to learn due to its invisible thinking. Current programming environments are mostly designed for operating on computers directly to learn concrete programming, but this approach lacks the support for clarifying learners' thinking processes. On the other hand, using paper and pens…

Chemometric techniques such as partial least-squares (PLS) regression have been applied with huge success to a wide array of chemical problems including multicomponent analysis of analytes in complex mixtures. Despite this, there are few examples of laboratory pedagogical exercises that involve students in the acquisition of chemical data from…

The use of computational scaffolding is a crucial strategy to foster students' regulation of learning skills, which is associated with increased learning achievement. However, most interventions treat the regulatory processes as individual actions isolated from a social context. This view contradicts the most recent research that points to the…

Computational and atmospheric chemistry are two important branches of contemporary chemistry. With the present topical nature of climate change and global warming, it is more crucial than ever that students are aware of and exposed to atmospheric chemistry, with an emphasis on how modeling may aid in understanding how atmospherically relevant…

This study aims to develop a computer program for the identification key to insect orders (Arthropoda: Hexapoda) and to investigate its effectiveness as teaching material. Secondly, this study is aiming at whether this program improves students' computational thinking skills or not longitudinal quasi-experimental design. Firstly, the study is…

Contribution: This paper adds to existing literature on teaching basic concepts of electricity using computer-based instruction; findings suggest that students can develop an accurate understanding of electric circuits when they generate multiple and complementary representations that build toward computational models. Background: Several studies…

Contribution: Interactive learning tools with multiple learning support functionalities are nonexistent in power engineering education. An interactive learning tool for supporting student learning in power engineering is shown to improve analytical skills of students. Background: Power network architectures are becoming increasingly complex,…

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…

"Complexation TOPOS" is a free software package to generate 3-D topographic surfaces ("topos") for metal-ligand complexometric titrations in aqueous media. It constructs surfaces by plotting computed equilibrium parameters above a composition grid with "volume of ligand added" as the x-axis and overall system dilution…

In this technology report, a tool is provided for teaching reciprocal space to undergraduates in physical chemistry and materials science courses. Reciprocal space plays a vital role in understanding a material's electronic structure and physical properties. Here, we provide an example based on previous work in the "Journal of Chemical…

Numerous computational and spectroscopic studies have demonstrated the decisive role played by nonadiabatic coupling in photochemical reactions. Nonadiabatic coupling drives photochemistry when potential energy surfaces are nearly degenerate at avoided crossings or truly degenerate at unavoided crossings. The dynamics induced by nonadiabatic…

An exercise in molecular modeling that demonstrates the distinctive features of Fischer and Schrock carbene complexes is presented. Semi-empirical calculations (PM3) demonstrate the singlet ground electronic state, restricted rotation about the C-Y bond, the positive charge on the carbon atom, and hence, the electrophilic nature of the Fischer…

The Teaching Teamwork Project is using an online simulated electronic circuit, running on multiple computers, to assess students' abilities to work together as a team. We pose problems that must be tackled collaboratively, and log students' actions as they attempt to solve them. Team members are isolated from one another and can communicate only…

The heterogeneous equilibrium of the solubility of calcium hydroxide in water is used to predict both its solubility product from solubility and solubility values from solubility product when inert salts, in any concentration, are present. Accepting the necessity of including activity coefficients to treat the saturated solution of calcium…

We propose an articulated computational experiment in which both quantum mechanics (QM) and molecular mechanics (MM) methods are employed to investigate environment effects on the free energy surface for the backbone dihedral angles rotation of the small dipeptide N-Acetyl-N'-methyl-L-alanylamide. This computation exercise is appropriate for an…