Scott Yockel
Affiliations: | 2001-2007 | Chemistry | University of North Texas, Denton, TX, United States |
| 2007-2010 | Chemistry | Northwestern University, Evanston, IL | |
| 2010-2015 | University of North Texas, Denton, TX, United States | ||
| 2015- | Harvard University, Cambridge, MA, United States |
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Research ComputingWebsite:
https://www.rc.fas.harvard.edu/about/people/scott-yockel/Google:
"Scott Yockel"Parents
Sign in to add mentor| Angela K. Wilson | grad student | 2006 | University of North Texas | |
| (The evaluation, development, and application of the correlation consistent basis sets.) | ||||
| Paul S Bagus | post-doc | University of North Texas | ||
| George C. Schatz | post-doc | Northwestern | ||
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Publications
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| Filleter T, Yockel S, Naraghi M, et al. (2012) Experimental-computational study of shear interactions within double-walled carbon nanotube bundles. Nano Letters. 12: 732-42 |
| Yockel S, Schatz GC. (2012) Dynamic QM/MM: a hybrid approach to simulating gas-liquid interactions. Topics in Current Chemistry. 307: 43-67 |
| Yockel S, Schatz GC. (2010) Modeling O(3P) and Ar scattering from the ionic liquid [emim][NO3] at 5 eV with hybrid QM/MM molecular dynamics. The Journal of Physical Chemistry. B. 114: 14241-8 |
| Wu B, Zhang J, Minton TK, et al. (2010) Scattering dynamics of hyperthermal oxygen atoms on ionic liquid surfaces: [emim][NTf 2] and [C12mim][NTf 2] Journal of Physical Chemistry C. 114: 4015-4027 |
| Radak BK, Yockel S, Kim D, et al. (2009) Modeling reactive scattering of F(2P) at a liquid squalane interface: a hybrid QM/MM molecular dynamics study. The Journal of Physical Chemistry. A. 113: 7218-26 |
| Prascher BP, Kavi AM, Mintz B, et al. (2008) Theoretical investigation of the germanium arsenides Chemical Physics. 353: 209-220 |
| Yockel S, Gawlik E, Wilson AK. (2007) Structure and stability of the organo-noble gas molecules XNgCCX and XNgCCNgX (Ng = Kr, Ar; X = F, Cl). The Journal of Physical Chemistry. A. 111: 11261-8 |
| Elbjeirami O, Yockel S, Campana CF, et al. (2007) Photophysics and bonding in neutral gold(I) organometallic complexes with an extended aurophilic supramolecular structure Organometallics. 26: 2550-2560 |
| Lewera A, Zhou WP, Hunger R, et al. (2007) Core-level binding energy shifts in Pt-Ru nanoparticles: A puzzle resolved Chemical Physics Letters. 447: 39-43 |
| Yockel S, Wilson AK. (2007) Core-valence correlation consistent basis sets for second-row atoms (Al–Ar) revisited Theoretical Chemistry Accounts. 120: 119-131 |