Question
In 2016, chemistry professors Haoyu Yu and Donald Truhlar at this university used DFT to determine that Pt O four two-plus has a +10 oxidation state, the highest known of any stable compound. For 10 points each:
[10h] What university names a family of popular meta-GGA functionals, the most recently-developed of which are the 15 and 15-L functionals?
ANSWER: University of Minnesota, Twin Cities [accept UMN; accept the Minnesota functionals; prompt on Myz]
[10e] Functionals based on the GGA approximation assume a gradient for this quantity across a molecular system. This quantity is the “D” in “DFT.”
ANSWER: electron density [accept probability density or density functional theory]
[10m] The Minnesota functionals are natively included in this most popular computational chemistry software, designed by John Pople. This software is named for the type of orbital it uses for calculations instead of Slater-type orbitals.
ANSWER: Gaussian-16 [accept Gaussian orbitals]
<Ethan Ashbrook, Chemistry>
Summary
| 2023 Chicago Open | 08/05/2023 | Y | 9 | 17.78 | 100% | 78% | 0% |
Data
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