ERIC Number: EJ1013624
Record Type: Journal
Publication Date: 2013-Apr
Abstractor: As Provided
A Simulation Program for Dynamic Infrared (IR) Spectra
Zoerb, Matthew C.; Harris, Charles B.
Journal of Chemical Education, v90 n4 p506-507 Apr 2013
A free program for the simulation of dynamic infrared (IR) spectra is presented. The program simulates the spectrum of two exchanging IR peaks based on simple input parameters. Larger systems can be simulated with minor modifications. The program is available as an executable program for PCs or can be run in MATLAB on any operating system. Source code is also provided to encourage computer coding projects based on the program. The program is useful for upper-division undergraduates and demonstrates several important concepts from physical chemistry. Example exercises based on the program are included.
Descriptors: Science Instruction, College Science, Chemistry, Spectroscopy, Kinetics, Computer Assisted Instruction, Computer Simulation, Educational Technology
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: firstname.lastname@example.org; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education
Authoring Institution: N/A
Grant or Contract Numbers: N/A