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A computer-aided kinetics experiment can introduce general chemistry students to many basic concepts, such as reaction rates, reduction potentials and catalysis while also avoiding the tedium involved in many measurements. The data acquisition and analysis is performed by the computer with the active participation of students who are exposed to the value of spreadsheets and other computer software that can aid in experimentation. The experiment presented involves the iodide-catalyzed decomposition of hydrogen peroxide and experiment procedures are included.

An excercise for computational chemistry students involving a Computer experiment for exploring the conformational behavior of n-pentane has been described. N-pentane was used because interesting conformational features can be maintained in a short computational time due to the molecules' small size. The findings of the technique have been compared with the results obtained from the molecular dynamics method. The experiment can be carried out using the HyperChem for Windows molecular modelling program.

Equilibrium concentrations of single-reaction systems are uniquely determined by the initial concentrations if the pressure and temperature are kept constant. The same equilibrium will be attained from any other starting mixture of chemical species if it meets the identical mass and charge constraints. The stepwise and coupled processes of single chemical equations and a procedure by which a computer may calculate the equilibrium composition that result from selected initial concentrations with their free energies of formation is described.

Computer-assisted chemistry can be more cost-effective for experiments that are time-consuming, dangerous or require extensive repetition. High performance liquid chromatography is a commonly used instrumental technique that can easily be adapted to use computers without diminishing the experiment's value. Three examples of computer-assisted experiments are included such as a chromatographic resolution simulation and separation parameter optimization.

Various chemistry laboratory experiments can be improved by using a computer interface because data collection is no longer time-consuming and accuracy for extremely swift reactions is increased. Some of the areas that are especially suited for computer interfacing include conductivity, light absorption, pressure and temperature. Examples of experiments performed with a Tain Electronics TCS2 interface using Tcslog software are included such as nitrogen dioxide equilibrium, hydrolysis of 2-chloro-2-methylpropane and steel wool corrosion.

A simple experiment involving the deconvolution of gas chromatograms can be used to introduce chemistry students to instrumental analysis by comparing the results of chromatographic optimization and a software-based analysis. The software program is written in KINFIT and uses nonlinear regression analysis. The experiment can be performed without automatically digitized chromatographic data but it is easier if a computer-linked instrument such as the Perkin-Elmer 8500 Gas Chromatograph is used.

An inexpensive titration experiment for instrumental analysis chemistry courses using a MS-DOS microcomputer can demonstrate the principles of feedback and motion control as well as computer interfacing. The titration is controlled through rate of titrant addition accurately and allows the experiment to progress quickly. Hardware and software requirements are described in detail.

Chemistry teachers can use a computer program to simulate how a thermotropic nematic liquid crystal behaves in two dimensions. Monte Carlo methods are used to calculate the static macroscopic physical properties of a crystal made of cylindrically symmetric molecules. The program runs under MS-DOS on IBM and IBM-compatible PC XTs and PC ATs that have an EGA or VGA display.

A chemistry teacher uses a variety of techniques to explain the three-dimensional nature of chemistry to his advanced iorganic chemistry class. To grasp the idea of three-dimensional modeling, he uses both computer graphics and old-fashion drafting skills.

The World Wide Web has many resources for the chemistry class. Computer animations found on the web can teach students the fundamental of using a mass spectrometers, ionization chambers and other scientific instruments.

Computer-assisted monitoring of a kinetic experiment involving oxidation of Bromocresol Green (BCG) by hypochlorite to determine the order of reaction can give chemistry students a better overall introduction to kinetics studies. The absorbance rates for light passing through the reacting solution were obtained using the IBM Personal Science Laboratory of differing BCG and bleach concentrations to compare initial rates. Initial rate versus relative concentration was graphed on the Excel spreadsheet.

Graphically based modeling software such as Stella II can be used in organic and physical chemistry courses to introduce chemical kinetics in a fun, approachable manner. Teachers can present real-time demonstrations of both complex and simple kinetic systems while students can work through models and change the rate expression, concentrations and rate constants to explore different rate phenomena. This software can introduce solid-state approximation and oscillating reactions through hands-on exploration, fascinating students and clearly defining applicability to reactions.

Three modules that can be used in applying computer-based technology for teaching organic chemistry are described. Module 1 recommends the Spectral Database for Organic Compounds, Sigma-Aldrich database, and ChemINDEX as research tools. Module 2 presents database tools while module 3 suggests a chemical drawing program.

Computer graphics can be used to demonstrate the origin and applications of the 'reacting bond rules,' known colloquially as 'Thornton's rules,' for students in physical organic chemistry courses. Computer programs such as Mathematica have excellent 2-D and 3-D plotting capabilities that students can use to visualize and manipulate reacton surfaces. Ways students can use the programs, once they have a general introduction to the rules, are discussed.

Titration is an important part of teaching chemistry but the data collection, plotting and calculations need to be done by hand only once to absorb the technique. However, automatic systems have been traditionally too expensive for most chemistry laboratories. A computer-controlled titration system can be constructed using inexpensive and readily available materials. Construction and calibration procedures are included.

A chemistry course designed to introduce undergraduate students to the use of microcomputers trains students to see computers as tools for every situation. Some basic introductions to disc care and computer use are necessary because not all students know about computers. The course teaches spreadsheets, model evaluation, report writing and data analysis among other topics to prepare students to use computers in other courses. Two basic experiments involve air's pressure-volume behavior and mass distribution of pennies.