The finite-difference boundary-value method is a numerical method suited for the solution of the one-dimensional Schrodinger equation encountered in problems of hindered rotation. Further, the application of the method, in combination with experimental results for the evaluation of the rotational energy barrier in ethane is presented.

Osmotic pressure proves to be a useful topic for illustrating the disputes brought to bear on the chemistry profession when mathematics was introduced into its discipline. Some chemists of the late 19th century thought that the introduction of mathematics would destroy that "chemical feeling" or "experience" so necessary to the practice of…

Enthalpy changes corresponding to the gas phase heats of dissociation of 12 organic halides were calculated using two semiempirical methods, the Hartree-Fock method, and two DFT methods. These calculated values were compared to experimental values where possible. All five methods agreed generally with the expected empirically known trends in the…

This article describes a discovery-oriented experiment for demonstrating the selectivity of two epoxidation reactions. Peroxy acids and alkaline H[subscript 2]O[subscript 2] are two commonly used reagents for alkene epoxidation. The former react preferentially with electron-rich alkenes while the latter works better with alpha,beta-unsaturated…

A systematic approach to naming polyfunctional organic compounds is presented. Latest IUPAC rules are incorporated and the table of order of precedence for the major functional groups is assembled. The scope of nomenclature is limited to common functional groups that are covered by undergraduate courses in colleges and universities. (Contains 1…

The microwave-mediated preparation of lophine (2,4,5-triphenylimidazole) is described. This experiment allows for an introduction to the emerging technology of microwave-assisted organic synthesis while providing an opportunity for students to employ the principles of carbonyl chemistry in devising a mechanism to explain the formation of the…

This new WebWare combines instructional text and Jmol interactive, animated illustrations that help students visualize the mechanism. It is concluded that by animating the fluxional behavior of a simple model for chiral metal catalyst Sn(amidinate)[subscript 2], in which axial/equatorial exchange within the amidinate rings occurs through a Berry…

Discussed and described are several types of chemical bonds: (1) ionic bonds; (2) covalent bonds; (3) hydrogen bonds; (4) bonds in the solid state; and (5) variation in bond strengths. (RH)

Activities in which students explore the fundamental reasons behind the unusual instability of the trans isomers in medium-sized cycloalkenes by using the results of molecular modeling are described. Exercises have been proposed to explore the structures of cycloheptene and cyclooctene by Hehre and others which would be helpful to disabuse…

The different levels of protein structure that can be easily understood by creating a model that simulates protein folding, which can then be evaluated by applying it to a relevant activity, is presented. The materials required and the procedure for constructing a protein folding model are mentioned.

The structure of a hydrogen bond is elucidated within the framework of molecular dynamics based on the model of Rahman and Stillinger (R-S) liquid water treatment. Thus, undergraduates are exposed to the powerful but simple use of classical mechanics to solid objects from a molecular viewpoint.

Undergraduate students are required to study the chemical balance in supramolecular assemblies constituting two or more interacting species, by using proton NMR spectrometry. A good knowledge of physical chemistry, fundamentals of chemical balance, and NMR are pre-requisites for conducting this study.

A practical approach for familiarizing students with the thermodynamics of the inclusion phenomena is described. The experiment facilitates calculation of the activation parameters corresponding to the reactions involved in the inclusion mechanism.

This article describes the experience of teaching structural bioinformatics to third year undergraduate students in a subject titled "Biomolecular Structure and Bioinformatics." Students were introduced to computer programming and used this knowledge in a practical application as an alternative to the well established Internet bioinformatics…

This paper argues in favor of Closed Captioned Video technology for incorporating nanotechnology as part of teaching science to English as a Second Language (ESL) students. Nanotechnology deals with particles with diameters 1-50 nm and provides a macro-context for science instruction. Closed Captioned Videos provide an effective tool for…