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Michael J Gillan

Showing results (1-10 of 6) with videos related to

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The Journal of Chemical Physics|April 10, 2016
Perspective: How good is DFT for water?Michael J Gillan, Dario Alfè, Angelos Michaelides
Journal of the Royal Society, Interface|September 27, 2013
Density-functional theory study of gramicidin A ion channel geometry and electronic propertiesMilica Todorović, David R Bowler, Michael J Gillan, et al.
Physical Chemistry Chemical Physics : PCCP|April 27, 2012
Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab modelsOzan Karalti, Dario Alfè, Michael J Gillan, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Non-self-consistent Density-Functional Theory Exchange-Correlation Forces for GGA FunctionalsAntonio S Torralba, David R Bowler, Tsuyoshi Miyazaki, et al.
Physical Chemistry Chemical Physics : PCCP|May 5, 2012
Non-hexagonal ice at hexagonal surfaces: the role of lattice mismatchStephen J Cox, Shawn M Kathmann, John A Purton, et al.
The Journal of Chemical Physics|June 3, 2017
A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surfaceTheodoros Tsatsoulis, Felix Hummel, Denis Usvyat, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|April 10, 2016
Perspective: How good is DFT for water?Michael J Gillan, Dario Alfè, Angelos Michaelides
Journal of the Royal Society, Interface|September 27, 2013
Density-functional theory study of gramicidin A ion channel geometry and electronic propertiesMilica Todorović, David R Bowler, Michael J Gillan, et al.
Physical Chemistry Chemical Physics : PCCP|April 27, 2012
Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab modelsOzan Karalti, Dario Alfè, Michael J Gillan, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Non-self-consistent Density-Functional Theory Exchange-Correlation Forces for GGA FunctionalsAntonio S Torralba, David R Bowler, Tsuyoshi Miyazaki, et al.
Physical Chemistry Chemical Physics : PCCP|May 5, 2012
Non-hexagonal ice at hexagonal surfaces: the role of lattice mismatchStephen J Cox, Shawn M Kathmann, John A Purton, et al.
The Journal of Chemical Physics|June 3, 2017
A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surfaceTheodoros Tsatsoulis, Felix Hummel, Denis Usvyat, et al.
Pageof 1