Physical Chemistry Concepts Introduced into the Chemistry Curriculum using WebMO
ACS Citation
Shields, G. C.; Polk, W. F. Physical Chemistry Concepts Introduced into the Chemistry Curriculum using WebMO. In Engaging Students in Physical Chemistry, vol. 2; Gardner, D., Teague, C. M., Stokes, G., Thrall, E., McDonald, A. R., Eds.; ACS Symposium Series, Vol. 1515; American Chemical Society, 2025; pp. 371-429
Version of Record
Abstract
Computational chemistry is the most rapidly growing subdiscipline in chemistry. For small molecules calculations are now as good as experiment and readily accessible in undergraduate courses. These calculations are made available at the undergraduate level because of advances in computer power, availability of computational chemistry programs, and excellent graphical interfaces. In this chapter examples are provided on how computational chemistry exercises that illustrate physical chemistry concepts can be incorporated into general and physical chemistry courses using modern programs with a web-based user-interface, WebMO. As computations become a practical tool used by almost every chemist to enhance chemical understanding and make chemical predictions, providing undergraduate chemistry students hands-on experience with computational chemistry is an essential part of a modern chemistry education.
Source Name
Engaging Students in Physical Chemistry, Vol. 2. Edited by David Gardner, Craig M. Teague, Grace Stokes, Elizabeth Thrall and Ashley Ringer McDonald.,
Publication Date
11-24-2025
Volume
2
Page(s)
371-439
Document Type
Citation
Citation Type
Book Chapter