A bioinformatics laboratory experiment was designed to help undergraduate students learn RNA structure and function in biochemistry courses. In this laboratory experiment, students used 5S rRNAs as material to predict secondary structure and visualize three-dimensional (3D) structure. Students first downloaded molecular information from the 5S…

The application of the Reaction Monte Carlo (RxMC) algorithm to standard textbook problems in chemical reaction equilibria is discussed. The RxMC method is a molecular simulation algorithm for studying the equilibrium properties of reactive systems, and therefore provides the opportunity to develop computer-based "experiments" for the…

A series of computer-based laboratory experiments have been developed to aid undergraduate students in appreciating the three-dimensional nature of chemistry and biochemistry. Both lower- and upper-division experiments have been developed. Students are introduced to the use of ChemDraw for the production of professional-quality molecular…

The electrophilic addition of a hydrohalic acid (HX) to an alkene is often one of the first reactions learned in second-year undergraduate organic chemistry classes. During the ensuing discussion of the mechanism, it is shown that this reaction follows Markovnikov's rule, which states that the hydrogen atom will attach to the carbon with fewer…

An open-source electrochemistry simulation package has been developed that simulates the electrode processes of four reaction mechanisms and two typical electroanalysis techniques: cyclic voltammetry and chronoamperometry. Unlike other open-source simulation software, this package balances the features with ease of learning and implementation and…

The concept of wave-particle duality in quantum theory is difficult to grasp because it attributes particle-like properties to classical waves and wave-like properties to classical particles. There seems to be an inconsistency involved with the notion that particle-like or wave-like attributes depend on how you look at an entity. The concept comes…

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…

A homology modeling laboratory experiment has been developed for an introductory molecular modeling course for upper-division undergraduate chemistry students. With this experiment, students gain practical experience in homology model preparation and assessment as well as in protein visualization using the educational version of PyMOL…

Electron-atom collisions in gases are an aspect of atomic physics. Three experiments in this field employing a thyratron are described: (i) the Ramsauer-Townsend effect, (ii) the excitation and ionization potentials of xenon and (iii) the ion-electron recombination after interrupting the electric discharge.

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…

Computational chemistry is commonly addressed in the quantum mechanics course of undergraduate physical chemistry curricula. Since quantum mechanics traditionally follows the thermodynamics course, there is a lack of curricula relating computational chemistry to thermodynamics. A method integrating molecular modeling software into a semester long…

The Rutherford scattering experiment plays a central role in working out atomic models in physics and chemistry. Nevertheless, the experiment is rarely performed at school or in introductory physics courses at university. Therefore, we realized this experiment as a remotely controlled laboratory (RCL), i.e. the experiment is set up in reality and…

Provides a series of short articles about various uses of computers and courseware in teaching chemistry. Addresses topics such as a programming utility for animation, an organic synthesis program, a program for the allocation of organic qualitative analysis of unknowns, color images of molecules, and enhancing spreadsheet capabilities. (TW)