Driven by our technologically advanced workplaces and the surge in demand for proficiency in the computing disciplines, it is becoming imperative to provide computational thinking (CT) opportunities to all students. One approach for making computing accessible and relevant to learning and problem-solving in K-12 environments is to integrate it…

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…

"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…

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…

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…

A 3D model visualization and basic molecular modeling laboratory suitable for first-year undergraduates studying introductory medicinal chemistry is presented. The 2 h practical is embedded within a series of lectures on drug design, target-drug interactions, enzymes, receptors, nucleic acids, and basic pharmacokinetics. Serving as a teaching aid…

A method of solving the Schrodinger equation using a basis set expansion is described and used to calculate energy levels and wavefunctions of the hindered rotation of ethane and the ring puckering of cyclopentene. The calculations were performed using a computer algebra package and the calculations are straightforward enough for undergraduates to…

This study presents an efficient approach to personalized mispronunciation detection of Taiwanese-accented English. The main goal of this study was to detect frequently occurring mispronunciation patterns of Taiwanese-accented English instead of scoring English pronunciations directly. The proposed approach quickly identifies personalized…

In this article a continuous-time stochastic model (the Ornstein-Uhlenbeck process) is presented to model the perpetually altering states of the core affect, which is a 2-dimensional concept underlying all our affective experiences. The process model that we propose can account for the temporal changes in core affect on the latent level. The key…

A scheme which classifies the instructional applications of computers is designed to overcome the confusion created by the imprecision and equivocation associated with computer terminology. The classification is restricted to instructional applications, allows that some applications could apply to more than one category, and reflects a continuum…

A model of the phenomenon of the desert mirage is presented using Snell's Law and simple programing techniques. Optical trajectories predicted by the model are illustrated. (CW)

Describes how interactive programs for scientific modeling may be created by using spreadsheet software such as LOTUS 1-2-3. Lists the advantages of using this method. Discusses fractional distillation, batch partial melting, and combination models as examples. (CW)

This paper examines the idea that particular representations differentially support and enhance different cognitive processes, in particular different types of reasoning. Five case studies were conducted consisting of detailed observations of pairs of middle-school students interacting with a computer-based learning environment. The software…

The development of an instructional model for teaching formal mathematical concepts (probability concepts) to disadvantaged high school students through computer programming and some results from a field test are described in this document. The instructional model takes into account both learner characteristics (cognitive, affective, and…