Reviews three functions performed by modern computing integrators: (1) data acquisition; (2) data processing; and (3) communication. Also shows with examples how new electronic components enhance the functions of this popular analytical instrument in those areas. (JN)

A gas chromatography (GC) mass spectroscopy (MS) system recently developed by Hewlett-Packard (HP-5987 GC/MS/Data System) is described, illustrating the technological advances that have been achieved with the system. Examples of the data processing and output process are provided to demonstrate the capabilities and application of the system to…

Described is an experiment in which the student can ascertain the meaning of a negative result from a qualitative test by performing a more sensitive quantitative test on the same sample. Methodology for testing urinary glucose with a spectrophotometer at 630 nm and with commercial assaying glucose strips is presented. (MVL)

Fourier transform nuclear magnetic resonance (NMR) is a new spectroscopic technique that is often omitted from undergraduate curricula because of lack of instructional materials. Therefore, information is provided to introduce students to the technique of data collection and transformation into the frequency domain. (JN)

Box-and-whisker plots (which give rapid visualization of batches of data) can be effectively used to present diverse collections of data used in traditional first-year chemistry courses. Construction of box-and-whisker plots and their use with bond energy data and data on heats of formation and solution are discussed. (JN)

It is not conceivable that in a mixture or compound a component may exist in a negative ratio. Traditionally, therefore, a negative value could not be plotted on triangular coordinates. However, negative values are explicitly allowed, and the results extend the use of triangular coordinates as shown in this article. (JN)

Describes eight applications of the use of computers in teaching chemistry. Includes discussions of audio frequency measurements of heat capacity ratios, quantum mechanics, ab initio calculations, problem solving using spreadsheets, simplex optimization, faradaic impedance diagrams, and the recording and tabulation of student laboratory data. (TW)

Presented is a three-hour instrumental analysis experiment which allows study of software data-handling methods. These methods include sampling, boxcar averaging, smoothing, ensemble averaging, and digital filtering. Use of the program should provide students with a better idea of advantages and disadvantages of using such software data-handling…

Presents equations and techniques for calculating and interpreting many of the spectroscopically important parameters associated with the ground and second excited states of the iodine molecule. (Author/CS)

Discusses an experiment designed to introduce students to the basic principles of the fast Fourier transform and Fourier smoothing through transformation of time-dependent optical absorption data from an oscillating reaction. Uses the Belousov-Zhabotinskii reaction. Describes the experimental setup and data analysis techniques.

Provides general background on basic concepts of systems theory. Discusses applications of systems theory to computational and inferential chemistry in molecular and reaction systems, systems analysis, and synthesis. Describes methodology for studying chemical systems by computer and gives advantages of an integrated computational environment. (JM)

Offers an improvement over the least-square method that is particularly applicable to fitting the Beer-Lambert equation. Provides typical data and the corresponding graphs. Lists six references. (YP)

Examined are some of the types of two-dimensional spectra. Their application to nuclear magnetic resonance for the elucidation of molecular structure is discussed. Included are J spectroscopy, H-H correlation spectroscopy, heteronuclear correlation spectroscopy, carbon-carbon correlation, nuclear Overhauser effect correlation, experimental…

Proposed is a more didactic version of the electronic periodic table than is being used. The background and use of the numeric system is detailed and illustrated. (CW)