Honors in Chemistry
Date of Award
Thesis Professor Department
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.
Honors Thesis - Open Access
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This work is licensed under a Creative Commons Attribution-Noncommercial-No Derivative Works 3.0 License.
Rich, Brian, "Ab Initio Quantum Chemistry Calculations of Phosphorous Oxide Caged Cluster Compounds." (2013). Undergraduate Honors Theses. Paper 174. http://dc.etsu.edu/honors/174
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