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The Journal of Physical Chemistry. A
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May 24, 2007
Interaction between water molecules and zinc sulfide nanoparticles studied by temperature-programmed desorption and molecular dynamics simulations
Hengzhong Zhang, James R Rustad, Jillian F Banfield
The Journal of Chemical Physics
|
July 23, 2004
Molecular dynamics investigation of ferrous-ferric electron transfer in a hydrolyzing aqueous solution: calculation of the pH dependence of the diabatic transfer barrier and the potential of mean force
James R Rustad, Kevin M Rosso, Andrew R Felmy
The Journal of Physical Chemistry. B
|
December 27, 2005
Modeling water exchange on an aluminum polyoxocation
Andrew G Stack, James R Rustad, William H Casey
The Journal of Physical Chemistry. A
|
March 28, 2008
Calculating geochemical reaction pathways--exploration of the inner-sphere water exchange mechanism in Al(H2O)6(3+)(aq) + nH2O with ab Initio calculations and molecular dynamics
R James Evans, James R Rustad, William H Casey
Dalton Transactions (Cambridge, England : 2003)
|
August 22, 2014
The energetics of isomerisation in Keggin-series aluminate cations
C André Ohlin, James R Rustad, William H Casey
The Journal of Physical Chemistry. A
|
January 9, 2010
Influence of explicit hydration waters in calculating the hydrolysis constants for geochemically relevant metals
Matthew C F Wander, James R Rustad, William H Casey
The Journal of Chemical Physics
|
March 17, 2007
Structure and dynamics of the hydration shells of the Al3+ ion
Eric J Bylaska, Marat Valiev, James R Rustad, et al.
Journal of the American Chemical Society
|
August 8, 2009
Isotope-exchange dynamics in isostructural decametalates with profound differences in reactivity
Eric M Villa, C André Ohlin, James R Rustad, et al.
The Journal of Physical Chemistry. A
|
January 2, 2008
Quantum-chemical calculations of carbon-isotope fractionation in CO2(g), aqueous carbonate species, and carbonate minerals
James R Rustad, Sierra L Nelmes, Virgil E Jackson, et al.
Nature Materials
|
December 19, 2009
Dissolution of insulating oxide materials at the molecular scale
C André Ohlin, Eric M Villa, James R Rustad, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 26) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
May 24, 2007
Interaction between water molecules and zinc sulfide nanoparticles studied by temperature-programmed desorption and molecular dynamics simulations
Hengzhong Zhang, James R Rustad, Jillian F Banfield
The Journal of Chemical Physics
|
July 23, 2004
Molecular dynamics investigation of ferrous-ferric electron transfer in a hydrolyzing aqueous solution: calculation of the pH dependence of the diabatic transfer barrier and the potential of mean force
James R Rustad, Kevin M Rosso, Andrew R Felmy
The Journal of Physical Chemistry. B
|
December 27, 2005
Modeling water exchange on an aluminum polyoxocation
Andrew G Stack, James R Rustad, William H Casey
The Journal of Physical Chemistry. A
|
March 28, 2008
Calculating geochemical reaction pathways--exploration of the inner-sphere water exchange mechanism in Al(H2O)6(3+)(aq) + nH2O with ab Initio calculations and molecular dynamics
R James Evans, James R Rustad, William H Casey
Dalton Transactions (Cambridge, England : 2003)
|
August 22, 2014
The energetics of isomerisation in Keggin-series aluminate cations
C André Ohlin, James R Rustad, William H Casey
The Journal of Physical Chemistry. A
|
January 9, 2010
Influence of explicit hydration waters in calculating the hydrolysis constants for geochemically relevant metals
Matthew C F Wander, James R Rustad, William H Casey
The Journal of Chemical Physics
|
March 17, 2007
Structure and dynamics of the hydration shells of the Al3+ ion
Eric J Bylaska, Marat Valiev, James R Rustad, et al.
Journal of the American Chemical Society
|
August 8, 2009
Isotope-exchange dynamics in isostructural decametalates with profound differences in reactivity
Eric M Villa, C André Ohlin, James R Rustad, et al.
The Journal of Physical Chemistry. A
|
January 2, 2008
Quantum-chemical calculations of carbon-isotope fractionation in CO2(g), aqueous carbonate species, and carbonate minerals
James R Rustad, Sierra L Nelmes, Virgil E Jackson, et al.
Nature Materials
|
December 19, 2009
Dissolution of insulating oxide materials at the molecular scale
C André Ohlin, Eric M Villa, James R Rustad, et al.
Page
of 3