| Year |
Citation |
Score |
| 2012 |
Filleter T, Yockel S, Naraghi M, Paci JT, Compton OC, Mayes ML, Nguyen ST, Schatz GC, Espinosa HD. Experimental-computational study of shear interactions within double-walled carbon nanotube bundles. Nano Letters. 12: 732-42. PMID 22214436 DOI: 10.1021/Nl203686D |
0.424 |
|
| 2012 |
Yockel S, Schatz GC. Dynamic QM/MM: a hybrid approach to simulating gas-liquid interactions. Topics in Current Chemistry. 307: 43-67. PMID 21506003 DOI: 10.1007/128_2011_130 |
0.491 |
|
| 2010 |
Yockel S, Schatz GC. 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. PMID 20210319 DOI: 10.1021/Jp910707V |
0.431 |
|
| 2010 |
Wu B, Zhang J, Minton TK, McKendrick KG, Slattery JM, Yockel S, Schatz GC. 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. DOI: 10.1021/Jp910641S |
0.418 |
|
| 2009 |
Radak BK, Yockel S, Kim D, Schatz GC. 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. PMID 19323516 DOI: 10.1021/Jp809546R |
0.533 |
|
| 2008 |
Prascher BP, Kavi AM, Mintz B, Yockel SM, Wilson AK. Theoretical investigation of the germanium arsenides Chemical Physics. 353: 209-220. DOI: 10.1016/J.Chemphys.2008.08.018 |
0.592 |
|
| 2007 |
Yockel S, Gawlik E, Wilson AK. 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. PMID 17880047 DOI: 10.1021/Jp071242P |
0.656 |
|
| 2007 |
Elbjeirami O, Yockel S, Campana CF, Wilson AK, Omary MA. Photophysics and bonding in neutral gold(I) organometallic complexes with an extended aurophilic supramolecular structure Organometallics. 26: 2550-2560. DOI: 10.1021/Om060524T |
0.435 |
|
| 2007 |
Lewera A, Zhou WP, Hunger R, Jaegermann W, Wieckowski A, Yockel S, Bagus PS. Core-level binding energy shifts in Pt-Ru nanoparticles: A puzzle resolved Chemical Physics Letters. 447: 39-43. DOI: 10.1016/J.Cplett.2007.08.068 |
0.512 |
|
| 2007 |
Yockel S, Wilson AK. Core-valence correlation consistent basis sets for second-row atoms (Al–Ar) revisited Theoretical Chemistry Accounts. 120: 119-131. DOI: 10.1007/S00214-007-0309-3 |
0.639 |
|
| 2006 |
DeYonker NJ, Grimes T, Yockel S, Dinescu A, Mintz B, Cundari TR, Wilson AK. The correlation-consistent composite approach: application to the G3/99 test set. The Journal of Chemical Physics. 125: 104111. PMID 16999519 DOI: 10.1063/1.2236116 |
0.695 |
|
| 2006 |
Yockel S, Wilson AK. Erratum to ‘SO3 revisited: Impact of tight d augmented correlation consistent basis sets on atomization energy and structure’ [Chem. Phys. Lett. 394 (2004) 105–109] Chemical Physics Letters. 429: 645-646. DOI: 10.1016/J.Cplett.2006.08.002 |
0.659 |
|
| 2005 |
Yockel S, Wilson AK. Relativistic effects determined using the Douglas-Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentials. The Journal of Chemical Physics. 122: 174310. PMID 15910035 DOI: 10.1063/1.1888571 |
0.698 |
|
| 2005 |
Yockel S, Garg A, Wilson AK. The existence of FKrCF3, FKrSiF3, and FKrGeF3: A theoretical study Chemical Physics Letters. 411: 91-97. DOI: 10.1016/J.Cplett.2005.06.014 |
0.629 |
|
| 2004 |
Yockel S, Mintz B, Wilson AK. Accurate energetics of small molecules containing third-row atoms Ga-Kr: a comparison of advanced ab initio and density functional theory. The Journal of Chemical Physics. 121: 60-77. PMID 15260523 DOI: 10.1063/1.1755675 |
0.751 |
|
| 2004 |
Yockel S, Seals III JJ, Wilson AK. An ab initio study of the noble gas compound HKrCl Chemical Physics Letters. 393: 448-452. DOI: 10.1016/J.Cplett.2004.06.082 |
0.589 |
|
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