JUCS - Journal of Universal Computer Science 6(3): 345-355, doi: 10.3217/jucs-006-03-0345
Integrated Applications of Electronic Structure Computations in the Undergraduate Chemistry Curriculum
expand article infoRita K. Hessley, Daniel L. Morris Jr.§, Michael R. R. Mueller§
‡ The University of Cincinnati, Cincinnati, OH, United States of America§ Rose-Hulman Institute of Technology, Terre Haute, IN, United States of America
Open Access
Abstract
This paper describes the integrated use of electronic structure computations in the undergraduate chemistry curriculum including organic, physical, and analytical chemistry courses. This computational tool is used to enhance student learning and understanding of chemical principles along with exposing students to a modern research tool in chemistry. The electronic structure computations are used for homework, classroom activities (including examinations), and laboratory experiments (both computational and wet-lab). Some examples of these uses of electronic structure computations in organic, analytical, and physical chemistry courses are discussed.
Keywords
academic Computing, chemistry, electronic structure computations, undergraduate chemistry curriculum