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The Journal of Physical Chemistry. B
|
June 18, 2011
Systematic investigation of the catalytic cycle of a single site ruthenium oxygen evolving complex using density functional theory
Thomas F Hughes, Richard A Friesner
The Journal of Chemical Physics
|
August 14, 2008
Transferability in the natural linear-scaled coupled-cluster effective Hamiltonian approach: Applications to dynamic polarizabilities and dispersion coefficients
Thomas F Hughes, Rodney J Bartlett
Journal of Chemical Theory and Computation
|
November 25, 2015
Development of Accurate DFT Methods for Computing Redox Potentials of Transition Metal Complexes: Results for Model Complexes and Application to Cytochrome P450
Thomas F Hughes, Richard A Friesner
Journal of Chemical Theory and Computation
|
November 26, 2015
Correcting Systematic Errors in DFT Spin-Splitting Energetics for Transition Metal Complexes
Thomas F Hughes, Richard A Friesner
The Journal of Physical Chemistry. A
|
June 12, 2008
Natural linear-scaled coupled-cluster theory with local transferable triple excitations: applications to peptides
Thomas F Hughes, Norbert Flocke, Rodney J Bartlett
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2012
A B3LYP-DBLOC empirical correction scheme for ligand removal enthalpies of transition metal complexes: parameterization against experimental and CCSD(T)-F12 heats of formation
Thomas F Hughes, Jeremy N Harvey, Richard A Friesner
The Journal of Physical Chemistry. B
|
April 9, 2014
Accurate pKa prediction in first-row hexaaqua transition metal complexes using the B3LYP-DBLOC method
Steven V Jerome, Thomas F Hughes, Richard A Friesner
Protein Science : a Publication of the Protein Society
|
October 7, 2015
Successful application of the DBLOC method to the hydroxylation of camphor by cytochrome p450
Steven V Jerome, Thomas F Hughes, Richard A Friesner
Journal of the American Chemical Society
|
June 29, 2012
Realistic cluster modeling of electron transport and trapping in solvated TiO2 nanoparticles
Jing Zhang, Thomas F Hughes, Michael Steigerwald, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Accurate Force Field Development for Modeling Conjugated Polymers
Kateri H DuBay, Michelle Lynn Hall, Thomas F Hughes, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. B
|
June 18, 2011
Systematic investigation of the catalytic cycle of a single site ruthenium oxygen evolving complex using density functional theory
Thomas F Hughes, Richard A Friesner
The Journal of Chemical Physics
|
August 14, 2008
Transferability in the natural linear-scaled coupled-cluster effective Hamiltonian approach: Applications to dynamic polarizabilities and dispersion coefficients
Thomas F Hughes, Rodney J Bartlett
Journal of Chemical Theory and Computation
|
November 25, 2015
Development of Accurate DFT Methods for Computing Redox Potentials of Transition Metal Complexes: Results for Model Complexes and Application to Cytochrome P450
Thomas F Hughes, Richard A Friesner
Journal of Chemical Theory and Computation
|
November 26, 2015
Correcting Systematic Errors in DFT Spin-Splitting Energetics for Transition Metal Complexes
Thomas F Hughes, Richard A Friesner
The Journal of Physical Chemistry. A
|
June 12, 2008
Natural linear-scaled coupled-cluster theory with local transferable triple excitations: applications to peptides
Thomas F Hughes, Norbert Flocke, Rodney J Bartlett
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2012
A B3LYP-DBLOC empirical correction scheme for ligand removal enthalpies of transition metal complexes: parameterization against experimental and CCSD(T)-F12 heats of formation
Thomas F Hughes, Jeremy N Harvey, Richard A Friesner
The Journal of Physical Chemistry. B
|
April 9, 2014
Accurate pKa prediction in first-row hexaaqua transition metal complexes using the B3LYP-DBLOC method
Steven V Jerome, Thomas F Hughes, Richard A Friesner
Protein Science : a Publication of the Protein Society
|
October 7, 2015
Successful application of the DBLOC method to the hydroxylation of camphor by cytochrome p450
Steven V Jerome, Thomas F Hughes, Richard A Friesner
Journal of the American Chemical Society
|
June 29, 2012
Realistic cluster modeling of electron transport and trapping in solvated TiO2 nanoparticles
Jing Zhang, Thomas F Hughes, Michael Steigerwald, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Accurate Force Field Development for Modeling Conjugated Polymers
Kateri H DuBay, Michelle Lynn Hall, Thomas F Hughes, et al.
Page
of 2