Honors Program

Honors in Chemistry

Date of Award

5-2013

Thesis Professor(s)

Scott Kirkby

Thesis Professor Department

Chemistry

Thesis Reader(s)

Reza Mohseni

Abstract

The objective of my thesis was to add to a catalogue of molecular structures that is being compiled as a part of the Standoff Detection Project. The optimized geometry of P8O20 and P20O20 were calculated using restricted Hartree-Fock Theory, using the standard quantum mechanics and computational chemistry programs ECCÈ and NWChem. Unfortunately, due to the extremely time consuming nature of these calculations there was not enough time to complete the calculations for P24O48 and P24O60.

Document Type

Honors Thesis - Open Access

Copyright

Copyright by the authors.

Included in

Chemistry Commons

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