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The Journal of Chemical Physics
|
December 11, 2013
Linear-scaling calculation of Hartree-Fock exchange energy with non-orthogonal generalised Wannier functions
J Dziedzic, Q Hill, C-K Skylaris
Physical Chemistry Chemical Physics : PCCP
|
October 6, 2018
Ethanol, O, and CO adsorption on Pt nanoparticles: effects of nanoparticle size and graphene support
L G Verga, A E Russell, C-K Skylaris
Journal of Chemical Theory and Computation
|
March 1, 2017
Intuitive Density Functional Theory-Based Energy Decomposition Analysis for Protein-Ligand Interactions
M J S Phipps, T Fox, C S Tautermann, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 19, 2020
Corrigendum: Density kernel optimization in the ONETEP code (2008<i>J. Phys.: Condens. Matter</i><b>20</b>294207)
P D Haynes, C-K Skylaris, A A Mostofi, et al.
Journal of Chemical Theory and Computation
|
June 2, 2016
Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design
M J S Phipps, T Fox, C S Tautermann, et al.
Nanoscale
|
April 28, 2018
Molecular dynamics simulation of potentiometric sensor response: the effect of biomolecules, surface morphology and surface charge
B M Lowe, C-K Skylaris, N G Green, et al.
Faraday Discussions
|
May 30, 2018
DFT calculation of oxygen adsorption on platinum nanoparticles: coverage and size effects
L G Verga, J Aarons, M Sarwar, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 28, 2016
Dynamic behaviour of the silica-water-bio electrical double layer in the presence of a divalent electrolyte
B M Lowe, Y Maekawa, Y Shibuta, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 24, 2016
Effect of graphene support on large Pt nanoparticles
L G Verga, J Aarons, M Sarwar, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 26, 2016
The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
E Poli, J D Elliott, L E Ratcliff, et al.
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of 1
Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
December 11, 2013
Linear-scaling calculation of Hartree-Fock exchange energy with non-orthogonal generalised Wannier functions
J Dziedzic, Q Hill, C-K Skylaris
Physical Chemistry Chemical Physics : PCCP
|
October 6, 2018
Ethanol, O, and CO adsorption on Pt nanoparticles: effects of nanoparticle size and graphene support
L G Verga, A E Russell, C-K Skylaris
Journal of Chemical Theory and Computation
|
March 1, 2017
Intuitive Density Functional Theory-Based Energy Decomposition Analysis for Protein-Ligand Interactions
M J S Phipps, T Fox, C S Tautermann, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 19, 2020
Corrigendum: Density kernel optimization in the ONETEP code (2008<i>J. Phys.: Condens. Matter</i><b>20</b>294207)
P D Haynes, C-K Skylaris, A A Mostofi, et al.
Journal of Chemical Theory and Computation
|
June 2, 2016
Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design
M J S Phipps, T Fox, C S Tautermann, et al.
Nanoscale
|
April 28, 2018
Molecular dynamics simulation of potentiometric sensor response: the effect of biomolecules, surface morphology and surface charge
B M Lowe, C-K Skylaris, N G Green, et al.
Faraday Discussions
|
May 30, 2018
DFT calculation of oxygen adsorption on platinum nanoparticles: coverage and size effects
L G Verga, J Aarons, M Sarwar, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 28, 2016
Dynamic behaviour of the silica-water-bio electrical double layer in the presence of a divalent electrolyte
B M Lowe, Y Maekawa, Y Shibuta, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 24, 2016
Effect of graphene support on large Pt nanoparticles
L G Verga, J Aarons, M Sarwar, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
January 26, 2016
The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
E Poli, J D Elliott, L E Ratcliff, et al.
Page
of 1