Discusses the use of a computer simulation program in teaching the concepts of spectrophotometry. Introduces several parts of the program and program usage. Presents an assessment activity to evaluate students' mastery of material. Concludes with the advantages of this approach to the student and to the assessor. (ASK)

The main part of this project involved using a computer, either an Apple or an IBM, as a chart recorder for the infrared (IR) and nuclear magnetic resonance (NMR) spectrophotometers. The computer "reads" these machines and displays spectra on its monitor. The graphs can then be stored for future reference and manipulation. The program to…

This project involved interfacing of microcomputers with three chemical instruments--Nuclear Magnetic Resonance (NMR), Infrared Spectroscopy (IR), and the spectrophotometer. A Pascal program called "Spectrum" allows data from the NMR to be read and graphed, a specific area of the graph zoomed, ratios of specified areas of the graph…

Four applications of microcomputers in the chemical laboratory are presented. Included are "Mass Spectrometer Interface with an Apple II Computer,""Interfacing the Spectronic 20 to a Computer,""A pH-Monitoring and Control System for Teaching Laboratories," and "A Computer-Aided Optical Melting Point Device." Software, instrumentation, and uses are…

States that if photochemical reactions can be followed spectrophotometrically, reactivities can be estimated by evaluating data from only one curve. Studies such a system using computerized evaluation and simulation. Uses chlorocuprate(II) complexes in acetonitrile solutions for the model systems. (MVL)

Examines two computer interfaced lab experiments: 1) discusses the automation of a Perkin Elmer 337 infrared spectrophotometer noting the mechanical and electronic changes needed; 2) uses the Gouy method and Lotus Measure software to automate magnetic susceptibility determinations. Methodology is described. (MVL)

Four microcomputer applications are presented including: "Computer Simulated Process of 'Lead Optimization': A Student-Interactive Program,""A PROLOG Program for the Generation of Molecular Formulas,""Determination of Inflection Points from Experimental Data," and "LAOCOON PC: NMR Simulation on a Personal Computer." Software, availability,…

Describes a biophysical chemistry experiment that introduces students to globular protein conformation and microcomputer analysis of initial rate data for the unfolding of proteins. Presents background, materials needed and methodology. Uses a visible spectrometer for analysis. Lists educational benefits derived from the experiment. (ML)

Discusses electron spin resonance, a form of magnetic resonance spectroscopy, used to study electronic structure of molecules with unpaired electrons. Studies benzosemiquinone radical anions which are long-lived and inexpensive. Uses a Project SERAPHIM computer program to perform a Huckel molecular orbital calculation. (MVL)

Discusses the nature of a nuclear magnetic resonance (NMR) experiment, the techniques used, the types of structural and dynamic information obtained, and how one can view and refine structures using computer graphics techniques in combination with NMR data. Provides several spectra and a computer graphics image from B-form DNA. (MVL)