The expected thrust for theoretical chemistry in the next decade will be to combine knowledge of fundamental chemical steps/interactions with advances in chemical dynamics, irreversible statistical mechanics, and computer technology to produce simulations of chemical systems with reaction site competition. A sample simulation (using the enzyme…

This exercise, suitable for an advanced undergraduate physical chemistry lab, examines the detailed theoretical description of a chemical reaction. Mathematical techniques of moderate complexity serve to introduce some aspects of theoretical chemistry. (Author/TS)

This manuscript presents an exercise that utilizes mathematical software to explore Fourier transforms in the context of model quantum mechanical systems, thus providing a deeper mathematical understanding of relevant information often introduced and treated as a "black-box" in analytical chemistry courses. The exercise is given to…

An account of Van't Hoff's change from theoretical chemistry to petrology provides data on the European intellectual climate of the early 1900's and shows how his work laid the foundation for experimental petrology of hard rocks." (AL)

The discovery of the electron in 1897 deeply impacted the nature of chemistry in the twentieth century. A revolution in the theoretical structure of chemistry as well as in the instrumental tools used in chemical analysis occurred as a result of this discovery. The impact of this revolution on tin oxide chemistry over approximately a 100 year…

The purposes of the article are to present some of the simplest facts of theoretical chemistry in a language which is as close as possible to everyday discourse and to introduce one of the basic principles which governs the mechanism in chemical reactions. (Author/CP)

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…

Provides answers to these two questions: (1) What can be said about molecular structure? and (2) What are the foundations of theoretical chemistry? Indicates that students can be encouraged to think critically about primitive concepts of their subject (such as bonds and molecules) rather than passively accept them as truth. (JN)

Extant literature has emphasized the importance of education research being theory-based. To this end, many research articles have a distinct "theoretical framework" section describing the theoretical underpinnings that inform the research. Nevertheless, there is large variation in how explicit articles are regarding their use of…

This paper reports on the initial outcomes from the end of the fourth year of a 5 year research and professional development project to improve chemistry teaching among three cohorts of chemistry teachers in Manitoba, Canada. The project responds to a new curriculum introduction advocating a tetrahedral orientation (Mahaffy, "Journal of…

Guided by the Technology Acceptance Model 3 (TAM-3), this study concerning VL focuses to examine chemistry teachers' experiences, perceived ease of use, perceived usefulness, use intentions, actual use, and factors that affect them and to create a model of the real use of VL by chemistry teachers. The research was carried out in the holistic…

The purpose of this research was to examine the relationships between conceptions of learning and approaches to learning in chemistry. Two questionnaires, conceptions of learning chemistry (COLC) and approaches to learning chemistry (ALC), were developed to identify 369 college chemistry-major students' (220 males and 149 females) conceptions of…

The association between student motivation and learning, and changes in motivation across a course, were evaluated for students enrolled in one-semester foundation-level inorganic chemistry courses at multiple postsecondary institutions across the United States. The Academic Motivation Scale for Chemistry (AMS-Chemistry) and the Foundations of…

Representations constitute an important part of chemistry knowledge. This paper revisits the notion of the term, symbolic, in the chemistry triangle proposed by Johnstone using the theoretical lens of social semiotics. In doing so, this paper proposes a framework of chemistry learning that highlights representational re-description and…

Computers have effected a comprehensive transformation of chemistry. Computers have greatly enhanced the chemist's ability to do model building, simulations, data refinement and reduction, analysis of data in terms of models, on-line data logging, automated control of experiments, quantum chemistry and statistical and mechanical calculations, and…