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.

"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…

Describes a chemistry software program that emulates a modern binary gradient HPLC system with reversed phase column behavior. Allows for solvent selection, adjustment of gradient program, column selection, detectory selection, handling of computer sample data, and sample preparation. (MVL)

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…

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…

Discusses the calculation of free energy in reactions between silicon dioxide and carbon. Describes several computer programs for calculating the free energy minimization and their uses in chemistry classrooms. Lists 16 references. (YP)

Reviews two software packages: Graphical Analysis III and Lewis Diagrams. Finds Graphical Analysis III to be a fast and versatile graphing program for high school science classes with access to Apple II microcomputers. Lewis Diagrams is designed to aid in determining Lewis structures of molecules and ions for IBM computers. (MVL)

Describes the use of "CACHE IBM PC Lessons for Courses Other than Design and Control" as open-ended design oriented problems. Presents graphics from some of the software and discusses high-resolution graphics workstations. Concludes that computing tools are in line with design and control practice in chemical engineering. (MVL)

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)

Reviews three computer software programs: (1) "Discovery! Experiences with Scientific Reasoning"--problem solving for grades 4-12 (Apple II); (2) "Organic Stereochemistry"--a tutorial for organic chemistry for advanced secondary/college level (Apple II); and (3) "SHOW PARTNER (2.01)"--a graphics utility tool for…

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)

Describes eight uses of the microcomputer in the chemistry classroom. Includes games, simulations, and graphics programs most of which are available from Project SERAPHIM. (MVL)