Thermodynamic processes are complex phenomena that can be understood as a set of successive stages. When treating processes, classical thermodynamics (and most particularly, the Gibbsian formulation, predominantly used in chemistry) only pays attention to initial and final states. However, reintroducing the notion of process is absolutely…

Describes a rapid computer technique for plotting Eh-pH diagrams using a line printer. (MLH)

Describes computer programs (available from authors) including molecular input to computer, programs for quantum chemistry, library orientation to technical literature, plotting potentiometric titration data, simulating oscilloscope curves, organic qualitative analysis with dynamic graphics, extended Huckel calculations, and calculator programs…

Purpose: The purpose of this scientific monograph is to show new and creative approaches to different school subjects in primary and secondary level. Methodology: Interdisciplinary and international comparative approaches were used. Now according to the 7th Framework Program, the preferred form of Science Education (www.scientix.eu) is preferred…

This article includes the results of a survey on the use of computers in chemistry education in British polytechnics, and a discussion of this use in the United Kingdom, the United States, and elsewhere. The author advocates that chemistry students learn to use, but not necessarily program, computers. (SD)

Discusses the use of property diagrams as an instructional tool to help students understand and visualize important, complex thermodynamic relationships. Also discusses the approach used in preparing these diagrams, which were computer-generated as part of graduate students' research. (JN)

A technique is described for the generation of perspective views of three-dimensional models using computer graphics. The technique is applied to models of familiar thermodynamic phase diagrams and the results are presented for the ideal gas and van der Waals equations of state as well as the properties of liquid water and steam from the Steam…

Explains how using computers to generate images, to gather high-speed data, and to make better models has greatly improved x-ray crystallography results. (Author/GA)

Describes the information processing system employed by Chemical Abstracts Service which utilizes computers to organize material from the data base, convert it to the appropriate type face and format, and photocompose it in a form suitable for conversion to offset printing plates. (GS)

Describes computer programs and projects designed to assist the chemical researcher in solving problems on-line. Discusses programs that interpret molecular structures, analyze multivariant data, and generate structural isomers of compounds. (MLH)

Describes interactive, computer-graphics program emulating behavior of high resolution, ultraviolet-visible analog recording spectrophotometer. Graphics terminal behaves as recording absorption spectrophotometer. Objective of the emulation is study of optimization of the instrument to yield accurate absorption spectra, including…

Explains the use of computer assisted graphic display to permit the questioning and testing of fundamental chemical relationships. Illustrates the operation of the technique in a simple equilibrium experiment. (GS)

Discusses the use of orbital shapes for instructional purposes, emphasizing that differences between polar, contour, and three-dimensional plots must be made clear to students or misconceptions will occur. Also presents three-dimensional contour surfaces for the seven 4f atomic orbitals of hydrogen and discusses their computer generation. (JN)

A Macintosh microcomputer and MacPaint program can be used to quickly make charts of structural formulas that fill standard-sized paper with a minimum of instruction, and smaller drawings or structures or fragments may be inserted into text composed with a word processing program. Shows how this is done. (JN)

Taking a prototype chemical reaction (molecular hydrogen plus hydrogen atom), constructs an accurate semiempirical, generalized diatomics-in-molecules potential energy surface, calculates motions of these atoms on this surface using REACTS trajectory program, and presents results as moving picture on a microcomputer graphics system. Provides…