Many approaches to teaching Newman projections and conformational manipulation rely on lecturing using only two-dimensional representations. While molecular models are recognized as useful learning tools, students are often left to figure out how to use them during the initial learning process. The availability of basic online molecular models…

Introductory chemistry students often have difficulty visualizing the 3-dimensional shapes of the hydrogenic electron orbitals without the aid of physical 3D models. Unfortunately, commercially available models can be quite expensive. 3D printing offers a solution for producing models of hydrogenic orbitals. 3D printing technology is widely…

Molecular model kits have been used in chemistry classrooms for decades but have seen very little recent innovation. Using 3D printing, three sets of physical models were created for a first semester, introductory chemistry course. Students manipulated these interactive models during class activities as a supplement to existing teaching tools for…

In our three-dimensional world, one can plot, see, and comprehend a function of two variables at most, V(x,y). One cannot plot a function of three or more variables. For this reason, visualization of the potential energy function in its full dimensionality is impossible even for the smallest polyatomic molecules, such as triatomics. This creates…

The advantages of Gaussian-type orbitals (GTO) over Slater-type orbitals (STO) in quantum chemistry calculations are clarified here by means of a holistic approach. The popular Microsoft Office Excel program was used to create an interactive application with which students are able to explore the features of GTO, including automatic calculations…

Explains how using computers to generate images, to gather high-speed data, and to make better models has greatly improved x-ray crystallography results. (Author/GA)

Explains molecular graphics, i.e., the application of computer graphics techniques to investigate molecular structure, function, and interaction. Structural models and molecular surfaces are discussed, and a theoretical model that can be used for the evaluation of intermolecular interaction energies for organometallics is described. (45…

Reviews two computer programs: "Molecular Graphics," which allows molecule manipulation in three-dimensional space (requiring IBM PC with 512K, EGA monitor, and math coprocessor); and "Periodic Law," a database which contains up to 20 items of information on each of the first 103 elements (Apple II or IBM PC). (MVL)

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)

Describes computer programs and projects designed to assist the chemical researcher in solving problems on-line. Discusses programs that interpret molecular structures, analyze multivariant data, and generate structural isomers of compounds. (MLH)

Discusses the use of orbital shapes for instructional purposes, emphasizing that differences between polar, contour, and three-dimensional plots must be made clear to students or misconceptions will occur. Also presents three-dimensional contour surfaces for the seven 4f atomic orbitals of hydrogen and discusses their computer generation. (JN)

A Macintosh microcomputer and MacPaint program can be used to quickly make charts of structural formulas that fill standard-sized paper with a minimum of instruction, and smaller drawings or structures or fragments may be inserted into text composed with a word processing program. Shows how this is done. (JN)

Describes a computer program that allows undergraduate students to undertake nomenclature tutorials in organic chemistry, where user response is evaluated based on a set of rules that determine appropriate feedback. Design of the software is described, including the use of computer graphics, and results of students' evaluations are briefly…

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)

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…