A discussion on how a spreadsheet simulation of linear-molecular spectra could be used to explore the dependence of rotational band spacing and contours on average bond lengths in the initial and final quantum states is presented. The simulation of hydrogen chloride IR, iodine UV-vis, and nitrogen UV-vis spectra clearly show whether the average…

Described are several spreadsheet templates which use the functions of iteration and logical look-up which allow students to calculate and graph quantum mechanical functions and to simulate rotational and vibrational energy level and spectra. The templates are listed in the appendix. (KR)

Describes eight applications of the use of computers in teaching chemistry. Includes discussions of audio frequency measurements of heat capacity ratios, quantum mechanics, ab initio calculations, problem solving using spreadsheets, simplex optimization, faradaic impedance diagrams, and the recording and tabulation of student laboratory data. (TW)

This paper discusses the role of high school chemistry teachers' beliefs in implementing computer visualization software to teach atomic and molecular structure from a quantum mechanical perspective. The informants in this study were four high school chemistry teachers with comparable academic and professional backgrounds. These teachers received…