Describes a set of Mathcad instrument simulations and documents that introduce important concepts for instrumental analysis. Enables students to adjust parameters and optimize an instrument in a timely fashion. (DDR)

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…

Presented is a simple laboratory set-up for teaching microprocessor-controlled data acquisition as a part of an instrumental analysis course. Discussed are the experimental set-up, experimental procedures, and technical considerations for this technique. (CW)

Described is a workstation equipped with a personal computer and a research-quality data-acquisition interface for instrumental data acquisition and analysis for chemistry and physics courses. Hardware, software, and functions of the apparatus are discussed. (CW)

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)

Describes the titration of a weak base with a strong acid and subsequent treatment of experimental data using commercially available software. Provides a BASIC program for determining first and second derivatives of data input. Lists 6 references. (YP)

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,…

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)

Reviewed are two computer software packages the "Scientific Routines Diskette: Laboratory Automation Using the IBM PC" and "SEQS 3.0 Student Version Simultaneous Equation Solver" for IBM and compatible personal computers. Discussed are hardware, components, level, cost, functions, strengths, and weaknesses. (CW)

Discussed are seven computer programs: (1) a computer graphics experiment for organic chemistry laboratory; (2) a gel filtration simulation; (3) judging spelling correctness; (4) interfacing the TLC548 ADC; (5) a digitizing circuit for the Apple II game port; (6) a chemical information base; and (7) an IBM PC article database. (MVL)