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Hydration Structure of Diamondoids from Reactive Force Fields

Palczynski, K; Kirschbaum, T; Bande, A; Dzubiella, J

Palczynski, K; Kirschbaum, T; Dzubiella, J (通讯作者),Helmholtz Zentrum Berlin Mat & Energie, Res Grp Simulat Energy Mat, D-14109 Berlin, Germany.;Kirschbaum, T (通讯作者),Free Univ Berlin, Inst Math, D-14195 Berlin, Germany.;Bande, A (通讯作者),Helmholtz Zentrum Berlin Mat & Energie, Theory Electron Dynam & Spect, D-14109 Berlin, Germany.;Dzubiella, J (通讯作者),Albert Ludwigs Univ Freiburg, Appl Theoret Phys Computat Phys, D-79104 Freiburg, Germany.

JOURNAL OF PHYSICAL CHEMISTRY C, 2023; 127 (6): 3217

Abstract

Diamondoids are promising materials for applications in catalysis and nanotechnology. Since many of their applications are in aqueous environments, to......

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