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The Journal of Chemical Physics
|
August 14, 2008
Importance of the quality of metal and ligand basis sets in transition metal species
T Gavin Williams, Angela K Wilson
The Journal of Chemical Physics
|
February 6, 2008
Hartree-Fock complete basis set limit properties for transition metal diatomics
T Gavin Williams, Nathan J DeYonker, Angela K Wilson
Journal of Chemical Theory and Computation
|
November 27, 2015
Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functional Theory with Single- and Multireference Correlation Consistent Composite Approaches
Sammer M Tekarli, T Gavin Williams, Thomas R Cundari
The Journal of Chemical Physics
|
June 25, 2009
Computation of potential energy surfaces with the multireference correlation consistent composite approach
Benjamin Mintz, T Gavin Williams, Levi Howard, et al.
The Journal of Physical Chemistry. A
|
August 13, 2010
A QM/QM multilayer composite methodology: The ONIOM correlation consistent composite approach (ONIOM-ccCA)
Somak R Das, T Gavin Williams, Michael L Drummond, et al.
Journal of Computational Chemistry
|
September 4, 2012
Proton affinities of deoxyribonucleosides via the ONIOM-ccCA methodology
Amanda G Riojas, Joshua R John, T Gavin Williams, et al.
The Journal of Chemical Physics
|
July 17, 2009
Accurate thermochemistry for transition metal complexes from first-principles calculations
Nathan J DeYonker, T Gavin Williams, Adam E Imel, et al.
The Journal of Physical Chemistry. A
|
July 4, 2009
Performance of density functional theory for 3d transition metal-containing complexes: utilization of the correlation consistent basis sets
Sammer M Tekarli, Michael L Drummond, T Gavin Williams, et al.
Archives of Physical Medicine and Rehabilitation
|
September 4, 2017
Long-Term Functional Outcomes in Military Service Members and Veterans After Traumatic Brain Injury/Polytrauma Inpatient Rehabilitation
Max Gray, Joyce Chung, Fatima Aguila, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
August 14, 2008
Importance of the quality of metal and ligand basis sets in transition metal species
T Gavin Williams, Angela K Wilson
The Journal of Chemical Physics
|
February 6, 2008
Hartree-Fock complete basis set limit properties for transition metal diatomics
T Gavin Williams, Nathan J DeYonker, Angela K Wilson
Journal of Chemical Theory and Computation
|
November 27, 2015
Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functional Theory with Single- and Multireference Correlation Consistent Composite Approaches
Sammer M Tekarli, T Gavin Williams, Thomas R Cundari
The Journal of Chemical Physics
|
June 25, 2009
Computation of potential energy surfaces with the multireference correlation consistent composite approach
Benjamin Mintz, T Gavin Williams, Levi Howard, et al.
The Journal of Physical Chemistry. A
|
August 13, 2010
A QM/QM multilayer composite methodology: The ONIOM correlation consistent composite approach (ONIOM-ccCA)
Somak R Das, T Gavin Williams, Michael L Drummond, et al.
Journal of Computational Chemistry
|
September 4, 2012
Proton affinities of deoxyribonucleosides via the ONIOM-ccCA methodology
Amanda G Riojas, Joshua R John, T Gavin Williams, et al.
The Journal of Chemical Physics
|
July 17, 2009
Accurate thermochemistry for transition metal complexes from first-principles calculations
Nathan J DeYonker, T Gavin Williams, Adam E Imel, et al.
The Journal of Physical Chemistry. A
|
July 4, 2009
Performance of density functional theory for 3d transition metal-containing complexes: utilization of the correlation consistent basis sets
Sammer M Tekarli, Michael L Drummond, T Gavin Williams, et al.
Archives of Physical Medicine and Rehabilitation
|
September 4, 2017
Long-Term Functional Outcomes in Military Service Members and Veterans After Traumatic Brain Injury/Polytrauma Inpatient Rehabilitation
Max Gray, Joyce Chung, Fatima Aguila, et al.
Page
of 1