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Topics in Current Chemistry|April 21, 2011
Dynamic QM/MM: a hybrid approach to simulating gas-liquid interactionsScott Yockel, George C SchatzThe Journal of Physical Chemistry. B|March 10, 2010
Modeling O(3P) and Ar scattering from the ionic liquid [emim][NO3] at 5 eV with hybrid QM/MM molecular dynamicsScott Yockel, George C SchatzThe Journal of Physical Chemistry. A|March 28, 2009
Modeling reactive scattering of F(2P) at a liquid squalane interface: a hybrid QM/MM molecular dynamics studyBrian K Radak, Scott Yockel, Dongwook Kim, et al.Nano Letters|January 5, 2012
Experimental-computational study of shear interactions within double-walled carbon nanotube bundlesTobin Filleter, Scott Yockel, Mohammad Naraghi, et al.The Journal of Chemical Physics|May 25, 2005
Relativistic effects determined using the Douglas-Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentialsScott Yockel, Angela K WilsonProceedings of the National Academy of Sciences of the United States of America|April 18, 2007
Using theory and computation to model nanoscale propertiesGeorge C SchatzThe Journal of Physical Chemistry. A|September 21, 2007
Structure and stability of the organo-noble gas molecules XNgCCX and XNgCCNgX (Ng = Kr, Ar; X = F, Cl)Scott Yockel, Evan Gawlik, Angela K WilsonThe Journal of Chemical Physics|July 21, 2004
Accurate energetics of small molecules containing third-row atoms Ga-Kr: a comparison of advanced ab initio and density functional theoryScott Yockel, Benjamin Mintz, Angela K WilsonThe Journal of Chemical Physics|July 23, 2004
Electromagnetic fields around silver nanoparticles and dimersEncai Hao, George C SchatzThe Journal of Chemical Physics|December 21, 2004
Narrow plasmonic/photonic extinction and scattering line shapes for one and two dimensional silver nanoparticle arraysShengli Zou, George C SchatzPageof 52