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Scott Yockel

Showing results (1-10 of 8) with videos related to

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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 Schatz
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 Wilson
The 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 Schatz
The 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 Wilson
The 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 Wilson
The 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.
The Journal of Chemical Physics|September 27, 2006
The correlation-consistent composite approach: application to the G3/99 test setNathan J DeYonker, Tom Grimes, Scott Yockel, 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.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Topics in Current Chemistry|April 21, 2011
Dynamic QM/MM: a hybrid approach to simulating gas-liquid interactionsScott Yockel, George C Schatz
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 Wilson
The 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 Schatz
The 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 Wilson
The 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 Wilson
The 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.
The Journal of Chemical Physics|September 27, 2006
The correlation-consistent composite approach: application to the G3/99 test setNathan J DeYonker, Tom Grimes, Scott Yockel, 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.
Pageof 1