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Topics in Current Chemistry
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April 21, 2011
Dynamic QM/MM: a hybrid approach to simulating gas-liquid interactions
Scott 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 pseudopotentials
Scott 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 dynamics
Scott 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 theory
Scott 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 study
Brian 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 set
Nathan J DeYonker, Tom Grimes, Scott Yockel, et al.
Nano Letters
|
January 5, 2012
Experimental-computational study of shear interactions within double-walled carbon nanotube bundles
Tobin Filleter, Scott Yockel, Mohammad Naraghi, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Topics in Current Chemistry
|
April 21, 2011
Dynamic QM/MM: a hybrid approach to simulating gas-liquid interactions
Scott 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 pseudopotentials
Scott 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 dynamics
Scott 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 theory
Scott 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 study
Brian 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 set
Nathan J DeYonker, Tom Grimes, Scott Yockel, et al.
Nano Letters
|
January 5, 2012
Experimental-computational study of shear interactions within double-walled carbon nanotube bundles
Tobin Filleter, Scott Yockel, Mohammad Naraghi, et al.
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of 1