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…

Provides short descriptions of computer application in chemistry including displaying organic molecules, solving stoichiometry problems, developing laboratory schedules, programing periodic chart information on pocket calculators, editing chemical manuscripts, instruction in Lewis Structures of simple molecules, a kinetic simulation system, and…

Describes: Apple stereochemistry program; CNDO/2-INDO mini-computer calculations; direct linear plot procedure for enzyme kinetics calculations; construction of nonlinear Scatchard plots; simulation of mass spectral envelopes of polyisotopic elements; graphics with a dot-matrix printer; MINC computer in the physical chemistry laboratory; hallway…

Summarizes 13 papers presented at the Fourth Biennial Conference on Chemical Education that dealt with computer-assisted tutorial and graphical instruction of chemistry. (MLH)

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)

Discusses three trends in computer-oriented chemistry instruction: (1) availability of interfaces to integrate computers with experiments; (2) impact of the development of higher resolution graphics and greater memory capacity; and (3) role of videodisc technology on computer assisted instruction. Includes program listings for auto-titration and…

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

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

Describes the features of various computer chemistry programs. Utilization of computer graphics, color, digital imaging, and other innovations are discussed in programs including those which aid in the identification of unknowns, predict whether chemical reactions are feasible, and predict the biological activity of xenobiotic compounds. (CS)

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,…

Investigated the overall effectiveness of and use of animation/graphics in "Introduction to Organic Chemistry" computer programs on student achievement and attitudes (n=approximately 400). Results indicate that although materials were effective animation sequences, they did not have an effect on student test scores. (JN)

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…

Reports on a comparison of computer instruction at Japanese and American universities and colleges. Discusses hardware, education of students, computer graphics, and cooperative efforts. States that computer hardware in Japan is of high quality, abundant, and inexpensively accessed, and in America there is a stronger, direct instructional…

States that quantitative modelling allows teachers to concentrate more on qualitative understanding. Suggests the main benefits as (1) repetitive calculations are reduced allowing greater attention to be focused on underlying models; (2) more "what if" models can be tested; and (3) a wider variety of data can be used to test models. (MVL)

Describes 10 computer programs (available from authors), including graphics display of molecular structure, cyclohexane stereo chemistry, calculation of thermodynamics properties of chemical reactions, and others. Also described graphical display of chemical interactive programs using a programmable calculator and discusses distribution of…