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Faraday Discussions
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October 7, 2003
Theoretical studies of organometallic complexes of uranium involving nitrogen ligands using density functional approaches
P Jeffrey Hay
Inorganic Chemistry
|
October 24, 2001
Theoretical Study of Stable Trans and Cis Isomers in [UO(2)(OH)(4)](2-) Using Relativistic Density Functional Theory
Georg Schreckenbach, P. Jeffrey Hay, Richard L. Martin
The Journal of Physical Chemistry. A
|
May 28, 2011
Theoretical study of O--O single bond formation in the oxidation of water by the ruthenium blue dimer
Roberto Bianco, P Jeffrey Hay, James T Hynes
The Journal of Physical Chemistry. B
|
August 20, 2013
Theoretical study of water oxidation by the ruthenium blue dimer. II. Proton relay chain mechanism for the step [bpy2(HOO)Ru(IV)ORu(IV)(OH)bpy2]4+ → [bpy2(O2(–))Ru(IV)ORu(III)(OH2)bpy2]4+
Roberto Bianco, P Jeffrey Hay, James T Hynes
The Journal of Chemical Physics
|
January 7, 2005
Density functional investigations of the properties and thermochemistry of UFn and UCln (n=1,...,6)
Enrique R Batista, Richard L Martin, P Jeffrey Hay
Journal of Chemical Theory and Computation
|
December 5, 2015
Revised Basis Sets for the LANL Effective Core Potentials
Lindsay E Roy, P Jeffrey Hay, Richard L Martin
Inorganic Chemistry
|
September 25, 2008
Theoretical studies on the redox potentials of Fe dinuclear complexes as models for hydrogenase
Lindsay E Roy, Enrique R Batista, P Jeffrey Hay
The Journal of Chemical Physics
|
July 26, 2006
Theoretical study of CeO2 and Ce2O3 using a screened hybrid density functional
P Jeffrey Hay, Richard L Martin, Jamal Uddin, et al.
Inorganic Chemistry
|
January 30, 2008
Crown ether inclusion complexes of the early actinide elements, [AnO2(18-crown-6)]n+, An = U, Np, Pu and n = 1, 2: a relativistic density functional study
Grigory A Shamov, Georg Schreckenbach, Richard L Martin, et al.
Inorganic Chemistry
|
March 29, 2005
Theoretical investigations of uranyl-ligand bonding: four- and five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes
Jason L Sonnenberg, P Jeffrey Hay, Richard L Martin, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Faraday Discussions
|
October 7, 2003
Theoretical studies of organometallic complexes of uranium involving nitrogen ligands using density functional approaches
P Jeffrey Hay
Inorganic Chemistry
|
October 24, 2001
Theoretical Study of Stable Trans and Cis Isomers in [UO(2)(OH)(4)](2-) Using Relativistic Density Functional Theory
Georg Schreckenbach, P. Jeffrey Hay, Richard L. Martin
The Journal of Physical Chemistry. A
|
May 28, 2011
Theoretical study of O--O single bond formation in the oxidation of water by the ruthenium blue dimer
Roberto Bianco, P Jeffrey Hay, James T Hynes
The Journal of Physical Chemistry. B
|
August 20, 2013
Theoretical study of water oxidation by the ruthenium blue dimer. II. Proton relay chain mechanism for the step [bpy2(HOO)Ru(IV)ORu(IV)(OH)bpy2]4+ → [bpy2(O2(–))Ru(IV)ORu(III)(OH2)bpy2]4+
Roberto Bianco, P Jeffrey Hay, James T Hynes
The Journal of Chemical Physics
|
January 7, 2005
Density functional investigations of the properties and thermochemistry of UFn and UCln (n=1,...,6)
Enrique R Batista, Richard L Martin, P Jeffrey Hay
Journal of Chemical Theory and Computation
|
December 5, 2015
Revised Basis Sets for the LANL Effective Core Potentials
Lindsay E Roy, P Jeffrey Hay, Richard L Martin
Inorganic Chemistry
|
September 25, 2008
Theoretical studies on the redox potentials of Fe dinuclear complexes as models for hydrogenase
Lindsay E Roy, Enrique R Batista, P Jeffrey Hay
The Journal of Chemical Physics
|
July 26, 2006
Theoretical study of CeO2 and Ce2O3 using a screened hybrid density functional
P Jeffrey Hay, Richard L Martin, Jamal Uddin, et al.
Inorganic Chemistry
|
January 30, 2008
Crown ether inclusion complexes of the early actinide elements, [AnO2(18-crown-6)]n+, An = U, Np, Pu and n = 1, 2: a relativistic density functional study
Grigory A Shamov, Georg Schreckenbach, Richard L Martin, et al.
Inorganic Chemistry
|
March 29, 2005
Theoretical investigations of uranyl-ligand bonding: four- and five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes
Jason L Sonnenberg, P Jeffrey Hay, Richard L Martin, et al.
Page
of 3