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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 properties
Milica 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 models
Ozan 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 Functionals
Antonio 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 mismatch
Stephen 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 surface
Theodoros Tsatsoulis, Felix Hummel, Denis Usvyat, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 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 properties
Milica 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 models
Ozan 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 Functionals
Antonio 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 mismatch
Stephen 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 surface
Theodoros Tsatsoulis, Felix Hummel, Denis Usvyat, et al.
Page
of 1