Crystallographic information provides the fundamental basis for understanding the properties and behavior of materials. This data, such as chemical composition, unit cell dimensions, space group, and atomic positions, derives from the primary literature--that is, from published experimental measurement or theoretical calculation. Although the…

A Web site is described that facilitates use of the free computational chemistry software: General Atomic and Molecular Electronic Structure System (GAMESS). Its goal is to provide an opportunity for undergraduate students to perform computational chemistry experiments without the need to purchase expensive software.

Provided is a review of a chemical software package. The package makes possible an instructional technique that is not effective by any other means, namely the ability to view molecular shapes in three dimensions. The program can be used with either IBM or Apple hardware. (RH)

Discusses computer simulations for chemistry courses. Reviews a simulation program, "Evaluation of Bonding Theory: The Werner Jorgensen Controversy," and provides information regarding hardware requirements for the program. Presents the idea of an expert system including simulation modules and counselor modules. Describes some chemical examples, a…

Discussed are some uses of computers in chemistry classrooms. Described are: (1) interactive chromatographic analysis software; (2) computer interface for a digital frequency-period-counter-ratio meter and analog interface based on a voltage-to-frequency converter; and (3) use of spectrometer/microcomputer arrangement for teaching atomic theory.…

Reviews three computer software packages for chemistry education including "Osmosis and Diffusion" and "E.M.E. Titration Lab" for Apple II and "Simplex-V: An Interactive Computer Program for Experimental Optimization" for IBM PC. Summary ratings include ease of use, content, pedagogic value, student reaction, and…

"Computer Simulations of Salt Solubility" by Victor M. S. Gil provides an animated, visual interpretation of the different solubilities of related salts based on simple entropy changes associated with dissolution such as configurational disorder and thermal disorder. This animation can help improve students' conceptual understanding of…

Reviews three software packages: 1) a package containing 68 programs covering general topics in chemistry; 2) a package dealing with acid-base titration curves and allows for variables to be changed; 3) a chemistry tutorial and drill package. (MVL)

Contains ratings of two software packages for Apple II computers: "Acid-Base Titrations, CHM311A" and "Chemical Principles for the Introductory Laboratory, CHM 384A." Both are aimed at high school and college chemistry and are rated on ease of use, subject matter content, pedagogic value, and student reaction. (CW)

Reviews four organic chemistry computer programs and three books. Software includes: (1) NMR Simulator 7--for IBM or Macintosh, (2) Nucleic Acid Structure and Synthesis--for IBM, (3) Molecular Design Editor--for Apple II, and (4) Synthetic Adventure--for Apple II and IBM. Book topics include physical chemistry, polymer pioneers, and the basics of…

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)

Reviews two computer programs: "Molecular Graphics," which allows molecule manipulation in three-dimensional space (requiring IBM PC with 512K, EGA monitor, and math coprocessor); and "Periodic Law," a database which contains up to 20 items of information on each of the first 103 elements (Apple II or IBM PC). (MVL)

Discusses a software package that allows the user to solve mathematical problems, analyze data, plot graphs, and to examine mathematical models. Presents the attributes of the program and the available mathematical functions. Provides an example of pH calculations. (MVL)

Presents five computer programs: (1) Accurate Numerical Solutions of the One-Dimensional Schrodinger Equation; (2) NMR Simulation and Interactive Drill/Interpretation; (3) A Simple Computer Program for the Calculation of 13C-NMR Chemical Shifts; (4) Constants of 1:1 Complexes from NMR or Spectrophotometric Measurements; and (5) Saturation…

Reviews the chemistry computer database program "KC? Discoverer" from Project SERAPHIM. This program enables the user to look at chemical, physical, and microscopic properties of each element. Lists other available program options as FIND, GRAPH, LIST elemental properties, and SORT. Describes hardware requirements. (ML)