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Determining Wavefunction of Noncyclic Polyenes
Author

Robert Gotwals
Organization: North Carolina School of Science & Mathematics
Department: Chemistry Department
URL: http://www.ncssm.edu/scholar/gotwals/home
Education level

College
Description

This notebook is used to teach basics of Hückel molecular orbital (MO) theory to high school students in the course "Introduction to Computational Chemistry" and the course "Research Experience in Mathematical Chemistry" at the North Carolina School of Science and Mathematics, Durham NC.

Students can explore the wavefunctions, delocalization energies, and orthonormality of each of the following noncyclic polyenes:
  • Ethene
  • Allyl
  • Butadiene
  • Hexatriene
Subjects

*Education > College
*Education > Precollege
*Science > Chemistry
*Teaching
Keywords

Computational Chemistry, Mathematical Chemistry, Noncyclic Polyenes, Hückel Molecular Orbital Theory, Wavefunctions, Delocalization Energies, Orthonormality, Ethene, Allyl, Butadiene, Hexatriene
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HMO_Polycyclics_Lab_Delocalization.nb (63.7 KB) - Mathematica Notebook