Evaluates first-year college students' perceptions of molecular modeling. Examines the effectiveness, integration with course content, interests, benefits, advantages, and disadvantages of molecular modeling. (Author/CCM)

Presents a framework identifying the molecular level assumptions underlying many thermodynamic models. Tests the assumptions using theory and computer simulation to develop better assumptions. (YP)

We report on a computational chemistry course for undergraduate students that successfully incorporated a research project on the design of new contrast agents for magnetic resonance imaging and shift reagents for in vivo NMR. Course outcomes were positive: students were quite motivated during the whole year--they learned what was required of…

Reviewed are two computer software packages including "ATOMS-Atomic Structure Display," and "Desktop Molecular Modeller." Discussed are hardware, components, level, cost, strengths, weaknesses, and value for teaching. (CW)

Cites advances in x-ray diffraction, nuclear magnetic resonance, computer modeling, and display to guide the design and analysis of protein structures. Reviews recent advances in knowledge, synthesis techniques, and theory of proteins. (JM)

Describes a series of computer programs that use simulation and gaming techniques to present the basic principles of the central dogma of molecular genetics, mutation, and the genetic code. A history of discoveries in molecular biology is presented and the evolution of these computer assisted instructional programs is described. (MBR)

Describes: (1) an interactive computer simulation for a science fair display of chromatography inks; (2) analytical chemistry programs; (3) microcomputer-assisted drills in organic synthesis; (4) programs for conformation analysis of ethane and butane; (5) MOLPIX--a program for generating and displaying molecular structures; and (6) chemical…

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)

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,…

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)

Describes a computer simulation which deals with the Werner-Jorgensen controversy from the standpoint of Kuhn's description of scientific change. Encourages the use of such instructional approaches to introduce general chemistry students to the process of science, including how (1) theories develop, (2) change occurs, and (3) scientists behave.…

Describes a computer simulation of the Compton effect designed to lead students to discover (1) the relationship of the electron's final kinetic energy to its angle of scattering and (2) the relationship between the scattering angles of the outgoing electron and photon. (MDH)

Reviews two chemistry software packages: (1) "Organic Reaction Chemistry" (organic chemistry, college level, Apple II); and (2) "Chemical Reactions, Reactions in Aqueous Solution, and Oxidation Reduction Reactions" (general chemistry, college level, IBM). (MVL)