Computational chemistry instructional activities are often based around students running chemical simulations via a graphical user interface (GUI). GUI-based activities offer many advantages, as they enable students to run chemical simulations with a few mouse clicks. Although these activities are excellent for introducing students to the…

Since biomedical science has become increasingly data-intensive, acquisition of computational and quantitative skills by science students has become more important. For non-science students, an introduction to biomedical databases and their applications promotes the development of a scientifically literate population. Because typical college…

The different methods used for computing labile metal-ligand complexes, which are suitable for an iterative computer solution, are illustrated. The ligand function has allowed students to relegate otherwise tedious iterations to a computer, while retaining complete control over what is calculated.

The America COMPETES Reauthorization Act of 2010 (Public Law 111-358) was put in place to invest in innovation through research and development, to improve the competitiveness of the United States, and for other purposes. The table of contents for this Act is as follows: (1) Sec. 1. Short title; table of contents; (2) Sec. 2. Definitions; and (3)…

Presented is an example of this use of spreadsheet software. The basic case is considered with an extension and suggestions for other applications. Emphasized is the use of this method at the introductory level. (CW)

Uses chaos theory to investigate the nonlinear phenomenon of population growth fluctuation. Illustrates the use of computers and computer programs to make calculations in a nonlinear difference equation system. (MDH)

Explains the use of the 3-dimensional analytic geometry method to find values for a field geology problem. Gives a description of the mathematical theory for this method which can be applied to data obtained by drilling as well as open surfaces, and a computer program. (RT)

Describes how interactive programs for scientific modeling may be created by using spreadsheet software such as LOTUS 1-2-3. Lists the advantages of using this method. Discusses fractional distillation, batch partial melting, and combination models as examples. (CW)

Describes a spreadsheet computer program which can be used with an Apple Macintosh computer to perform a multitude of calculations. Discusses two types of calculations taught in general chemistry. Demonstrates how to use the spreadsheet to calculate mass percent and the formula of a compound. (TW)

Reviewed are six computer programs which may be useful in teaching college level chemistry. Topics include dynamic data storage in FORTRAN, "KC?DISCOVERER," pH of acids and bases, calculating percent boundary surfaces for orbitals, and laboratory interfacing with PT Nomograph for the Macintosh. (CW)

Presented are several simple kinetic systems together with the spreadsheets used to solve them. A set of exercises in chemical kinetics appropriate for an introductory course in physical chemistry is given. Error propagation calculations with experimental data are illustrated. (CW)

Described are two applications of computers in chemistry. The multilinear equations and procedures used in obtaining a least-squares solution for curve fitting in chemistry are presented. Also discussed is the program "ATORB" which can be used to generate graphs of probable electron clouds for various atoms and molecules. (CW)

Discusses the need for providing a "toolkit" of computer resources in engineering education programs. Describes the use of the spreadsheet and provides a rationale for using spreadsheets in certain courses, presents considerations for choosing appropriate spreadsheet programs, and gives several examples of applying the spreadsheet to…

Presents an experiment that measures the acceleration and velocity of a model rocket. Lift-off information is transmitted to a computer that creates a graph of the velocity. Discusses the analysis of the computer-generated data and differences between calculated and experimental velocity and acceleration of several rocket types. (MDH)