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…

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)

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…

Describes an interactive computer program designed to provide graphical representations of chemistry and engineering experimental data sets and results of data analyses. Extremely flexible, the program requires no reprograming when new models are used. Models are entered into the program as input lines. (JN)

A computer program for the simulation of complex continuous process in real-time in an interactive mode is described. The program is user oriented, flexible, and provides both numerical and graphic output. The program has been used in classroom teaching and computer aided design. Typical input and output are illustrated for a sample problem to…

Presents 11 short descriptions on the applications of computers in chemistry classrooms and laboratories, including among others, using microcomputer graphics to teach quantum theory, a versatile and inexpensive instrument/computer interface, and a microcomputer-controlled scintillation spectrometer. (JN)

Surveys the current scene in computer graphics from the point of view of a chemistry educator. Discusses the scope of current applications of computer graphics in chemical education, and provides information about hardware and software systems to promote communication with vendors of computer graphics equipment. (HM)

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

Nine computer programs (available from the authors) are described including graphic display of molecular structures from crystallographic data, computer assisted instruction (CAI) with MATH subroutine, CAI preparation-for-chemistry course, calculation of statistical thermodynamic properties, qualitative analysis program, automated conductimetric…

Describes a computer program which generates formalized PMR spectra for video display. The program includes eight problems and is written in BASIC. (SK)

Eleven separate reports on computer programs (with sources indicated) and related materials are presented. These include chemical applications of interactive function translator, numerical optimization on microcomputer, Apple pH meter, axes-drawing program for Hewlett-Packard digital plotters, inexpensive chart recorder for freshmen laboratory,…

Thirteen computer/calculator programs (available from authors) are described. These include: representation of molecules as 3-D models; animated 3-D graphical display of line drawings of molecules; principles of Fourier-transform nuclear magnetic resonance; tutorial program for pH calculation; balancing chemical reactions using a hand-held…

Two copy-protected chemistry simulations (for Apple II) are described. The first demonstrates Hess' law of heat reaction. The second illustrates how heat of vaporization can be used to determine an unknown liquid and shows how to find thermodynamic parameters in an equilibrium reaction. Both are self-instructing and use high-resolution graphics.…