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Integration of USPEX to the GDIS visualization software. This is the presentation for the tutorial session 3 of the 17th USPEX ...

Where US = total surface energy. The thermodynamic quantities now refer to the surface excesses. PTEL ...

... Hirshfeld surface analysis, and molecular dynamics simulations of two isostructural N-propargyl-4-(2-oxopyrrolidin-1-yl)- 1,2,3 ...