Surface-Constrained Metropolis Monte Carlo: Simulation of Reactions on Triply Periodic Minimal Surfaces

Triply periodic minimal surfaces (TPMS) inspired by nature serve as a foundation for developing novel nanomaterials, such as templated silicas, graphene sponges, and schwarzites, with customizable optical, poroelastic, adsorptive, catalytic, and other properties. Computer simulations of reactions on...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2024-03, Vol.128 (9), p.1725-1735
Hauptverfasser:	Kowalczyk, Piotr, Furmaniak, Sylwester, Neimark, Alexander V., Burian, Andrzej, Terzyk, Artur P.
Format:	Artikel
Sprache:	eng
Schlagworte:	A: New Tools and Methods in Experiment and Theory
Online-Zugang:	Volltext
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