Describes recent attempts to program computers to map synthetic routes to organic compounds. The computer is provided with structural information for many molecules and reaction descriptions; when a target compound is specified, the computer lists possible precursors, thus indicating possible synthetic routes. (MLH)

Describes a computer program (FORTRAN and APPLESOFT) demonstrating the effect of copolymer composition as a function of conversion, providing theoretical background and examples of types of information gained from computer calculations. Suggests that the program enhances undergraduate students' understanding of basic copolymerization theory.…

Presents background information, laboratory procedures, classroom materials/activities, and chemistry experiments. Topics include sublimation, electronegativity, electrolysis, experimental aspects of strontianite, halide test, evaluation of present and future computer programs in chemistry, formula building, care of glass/saturated calomel…

The current organic synthesis program at Harvard University is called the Logic and Heuristics Applied to Synthetic Analysis (LHASA). Discusses this program in detail, focusing on retrosynthetic analysis approach, LHASA hardware, graphical input/perception, strategy control, transform evaluation, and LHASA enhancement. (JN)

Discusses use and applications of computer technology in chemistry, indicating that the importance of the computer has not been fully realized in the realm of organic synthesis. Includes discussions of various computer programs and systems currently used, supplemented by tables highlighting, for example, features of major computer-aided synthesis…

Presents a new version of the LHASA computer program specifically designed for use by students in an elementary organic chemistry course. This program presents a new method of teaching chemical synthesis and solving synthetic problems. (CS)

Presents discussion on: (1) computer assisted synthesis in industry and academia; (2) computer applications to teaching organic synthesis; (3) a computer program (ORGSYN) incorporating reactions to synthesize aliphatic compounds; and (4) the design of a computer program as a heuristic device in an introductory organic course. (SK)

Describes an interactive BASIC program with 192 statements and 18 comments for use with a Tektronix 4051 computer. (SK)

Presents chemistry experiments, laboratory procedures, demonstrations, teaching suggestions, and classroom materials/activities. These include: game for teaching ionic formulas; method for balancing equations; description of useful redox series; computer programs (with listings) for water electrolysis simulation and for determining chemical…

Using theoretical calculations and computer programs, some organic chemists are able to make detailed descriptions of reactions without relying on experiments. (MA)

Discusses the operation of a computer simulation of the formation of ozone in the atmosphere. Educational uses of the computer program and availability of the product are described. (CP)

Discusses the derivation of a thermodynamic relation. The relation is derived, for reactants in solution, from a treatment of the free energy of the reducing system as a function of the degree of advancement of the solution. Includes microcomputer figures/diagrams produced by programs developed to simulate this study. (JN)

Describes computer programs involving the London-Eyring-Polany-Sato method (LEPS). The programs provide a valuable means of introducing students to potential energy surfaces and to the foundations of transition state theory. Program listings (with copies of student scripts) or programs on DOS 3.3 disc are available from authors. (JN)