Integrated Applications of Electronic Structure Computations in the Undergraduate Chemistry Curriculum
Rita K. Hessley (The University of Cincinnati, USA)
Daniel L. Morris, Jr. (Rose-Hulman Institute of Technology, USA)
Michael R. R. Mueller (Rose-Hulman Institute of Technology, USA)
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