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…

Student performance calculating the pH of a strong acid or strong base solution before and after instruction in general and analytical chemistry courses was investigated using open-response questions in which a pH equation was not provided. Prior to instruction, students in both classes scored very low. General chemistry students lacking prior…

The study and analysis of enzymatic reactions are essential for characterizing various biological systems. As part of these procedures, it is important to understand how to quantify the biological activity of these proteins in terms of enzymatic activity. This work proposes a general equation for determining enzymatic activity based on…

Electrophilic aromatic substitution (EAS) represents an important class of reactions taught in the undergraduate organic chemistry curriculum. The EAS reaction of benzene and its substituted derivatives is generally described as proceeding through a carbocation (arenium cation) intermediate, and the regiochemistry of the product is heavily…

Computational chemistry techniques are used along with spectroscopy to characterize acetaminophen synthesized in an undergraduate chemistry laboratory experiment. The inclusion of electronic structure calculations to provide infrared and Raman spectra in the synthesis and characterization of acetaminophen connects over-the-counter medications with…

Investigating students' thinking in classroom tasks, particularly in science and engineering, is essential for improving educational practices and advancing student learning. In this context, the notion of "Ways of Thinking" (WoT) has gained traction in STEM education, offering a framework to explore how students approach and solve…

Integral to fostering computational thinking (CT) skills, which are increasingly essential in today's digital era, has been the shift of paper-based pictorial modeling activities to computational modeling. Research has indicated that modeling activities can advance students' understanding of a system's mechanism (i.e., systems thinking), such as…

In this article, simple models of optical computing circuits (1 x 4 demultiplexer (DEMUX), 4 x 1 multiplexer (MUX), Boolean logic, and half-adder (HA)) are shown with mechanically controlled plane mirrors. Photographs of the proposed computational circuits are also shown. It is very useful for the school student to understand optical logic and…

Today, teaching strategies and methods changing with technology require a radical transformation in the teaching of science laws, which form the basis of science subjects. In this study, computational thinking skills, which will allow students to use information and communication technologies in today's conditions and the effect of these skills on…

Computational thinking (CT) is a thought process composed of computer science ideas and skills that can be applied to solve problems and better understand the world around us. With the increase in technology and computing, STEM disciplines are becoming interwoven with computing. In order to better prepare students for STEM careers, computational…

The activity presented here is about an approximate or order-of-magnitude approach to information technology on the nano level, dealing in particular with the genetic code. Based on "There's Plenty of Room at the Bottom", the famous and visionary paper by Richard Feynman, the activity provides insight into a core concept of nanoscience…

The pharmaceutical industry has been a major player in improving life expectancies and driving chemistry employment. While computational chemistry tools increasingly guide pharmaceutical research decisions, high school and undergraduate chemistry curricula do not reflect the prevalence of such techniques. Incorporation of computational tools into…

In undergraduate chemistry curricula that include computational modeling, students may gain first-hand experience in both introductory and advanced applications of this technique. However, although students can be exposed to the predictive power of computational work, its capabilities are often limited to determining the intrinsic properties of…

The Precipitating Change Project was a 5-year development, implementation, and research study of an innovative 4-week middle school curricular unit in computational weather forecasting that integrates students' learning and use of meteorology and computational thinking (CT) concepts and practices. The project produced a list of CT skills and…

Background: STEM education and research are increasingly emphasized by governments worldwide to foster national development and productivity, economic competitiveness and societal wellbeing. There is no exception in Hong Kong, with its desire to promote STEM education and to strengthen Innovation and Technology development in the future. Purpose:…