The large number of experimentally determined molecular structures has led to the development of a new semiotic system in the life sciences, with increasing use of accurate molecular representations. To determine how this change impacts students' learning, we incorporated image tests into our introductory cell biology course. Groups of students…

A continuing challenge to the undergraduate chemical engineering curriculum is the time-effective incorporation and use of computer-based tools throughout the educational program. Computing skills in academia and industry require some proficiency in programming and effective use of software packages for solving 1) single-model, single-algorithm…

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.

By comparing two-dimensional (2D) chemical animations designed for computer's desktop with three-dimensional (3D) chemical animations designed for the full immersive virtual reality environment CAVE[TM] we studied how virtual reality environments could raise student's interest and motivation for learning. By using the 3ds max[TM], we can visualize…

The use of molecular dynamics and Monte Carlo methods has provided efficient means to stimulate the behavior of molecular liquids and solutions. A Monte Carlo simulation program is used to compute the structure of liquid water and of water as a solvent to Na(super +), Cl(super -), and Ar on a personal computer to show that it is easily feasible to…

This study investigated how students develop their understanding of chemical representations with the aid of a visualizing tool, eChem, that allows them to build molecular models and simultaneously view multiple representations. Multiple sources of data were collected with the participation of high school students (n=71) over a six-week period.…

Describes the design of a Common Molecules collection that provides interactive tools for 3-D visualization of molecules. The organizational design provides not only structural information, but also historical and/or key information on the properties of the molecules in the collection. Describes student use of the collection and the role of…

Discussed is the treatment of the concept of atomic orbitals in college chemistry textbooks; specifically the nodal surfaces of hybrid orbitals. Presented is a method of illustrating and introducing hydrogen-like atomic orbitals using computer graphics. (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)

Describes five computer software packages; four for MS-DOS Systems and one for Apple II. Included are SPEC20, an interactive simulation of a Bausch and Lomb Spectronic-20; a database for laboratory chemicals and programs for visualizing Boltzmann-like distributions, orbital plot for the hydrogen atom and molecular orbital theory. (CW)

A collection of Molecular Orbital (MO) programs that have been integrated into routines and programs to illustrate MO theory are presented. Included are discussions of Computer Aided Composition of Atomic Orbitals (CACAO) and Walsh diagrams. (CW)

Four microcomputer applications are presented including: "Computer Simulated Process of 'Lead Optimization': A Student-Interactive Program,""A PROLOG Program for the Generation of Molecular Formulas,""Determination of Inflection Points from Experimental Data," and "LAOCOON PC: NMR Simulation on a Personal Computer." Software, availability,…

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)

Describes some simple computer programs designed to simulate the molecular dynamics of two-dimensional systems with a Lennard-Jones interaction potential. Discusses the use of the software in introductory physics courses at the high school and college level. (TW)

Provides a series of short articles about various uses of computers and courseware in teaching chemistry. Addresses topics such as a programming utility for animation, an organic synthesis program, a program for the allocation of organic qualitative analysis of unknowns, color images of molecules, and enhancing spreadsheet capabilities. (TW)