Computational Electronic Spectroscopy Predictions for Astrochemical Ice Analogues and Data Analysis for Experimental Spectra
Theoretical chemistry aims to acquire wavefunctions for systems to calculate physical observables to help guide experimentation or provide rationale for particular observations. While quantum chemistry has expanded well beyond Hartree-Fock theory to produce more accurate predictions or faster comput...
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eGrove
2022
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Online Access: | https://egrove.olemiss.edu/hon_thesis/2549 https://egrove.olemiss.edu/context/hon_thesis/article/3560/viewcontent/t.pdf |