Wetting transitions and capillary condensation in slit-like pores: comparison of simulation and density functional theory

1991 ◽  
Vol 87 (20) ◽  
pp. 3415-3422 ◽  
Author(s):  
Edmund Kozak ◽  
Stefan Sokołowski
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Capillary Condensation ◽  
Functional Theory ◽  
Wetting Transitions

Capillary Condensation of Associating Fluids in Slit-Like Pores: A Density Functional Theory

1999 ◽  
Vol 214 (1) ◽  
pp. 91-100 ◽  
Author(s):  
Krzysztof Stepniak ◽  
Andrzej Patrykiejew ◽  
Zofia Sokołowska ◽  
Stefan Sokołowski
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Capillary Condensation ◽  
Associating Fluids ◽  
Functional Theory

Doping effects on the geometric and electronic structure of tin clusters

2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Beam Deflection ◽  
Functional Theory ◽  
Doping Effects ◽  
Depth Analysis ◽  
Trajectory Simulations

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.

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