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.

Protein structures are hard to represent on paper. They are large, complex, and three-dimensional (3D)--four-dimensional if conformational changes count! Unlike most of their substrates, which can easily be drawn out in full chemical formula, drawing every atom in a protein would usually be a mess. Simplifications like showing only the surface of…

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)

Reviewed are two computer software packages including "ATOMS-Atomic Structure Display," and "Desktop Molecular Modeller." Discussed are hardware, components, level, cost, strengths, weaknesses, and value for teaching. (CW)

Reviewed are two computer software packages: "Introduction to Spectroscopy, IR, NMR & CMR," and "ASYSTANT" (a mathematical and statistical analysis software tool). Discussed are the functions, strengths, weaknesses, hardware requirements, components, level, and cost for each package. (CW)

Reviews three softwre packages: "Molecular Graphics on the Apple Microcomputer, Enhanced Version 2.0"; "Molecular Graphics on the IBM PC Microcomputer"; and "Molecular Animator, IBM PC Version." Packages are rated based on ease of use, subject matter content, pedagogic value, and student reaction. (CW)

Presented are reviews of two computer software packages for Apple II computers; "Organic Spectroscopy," and "Videodisc Display Program" for use with "The Periodic Table Videodisc." A sample spectrograph from "Organic Spectroscopy" is included. (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…

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)

Reviews two chemistry software packages: (1) "Organic Reaction Chemistry" (organic chemistry, college level, Apple II); and (2) "Chemical Reactions, Reactions in Aqueous Solution, and Oxidation Reduction Reactions" (general chemistry, college level, IBM). (MVL)