Voronoi polyhedra as a tool for studying solvation structure
Elaine Eisler David, Carl W David
Abstract
Elaine Eisler David, Carl W David
Abstract
Voronoi polyhedra are employed to generate a coherent description of the immediate solvent sheath of complex solutes in water solution.
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Voronoi polyhedra are employed to generate a coherent description of the immediate solvent sheath of complex solutes in water solution.
Key concepts: Voronoi diagram, Polyhedron, Solvation, Statistical physics, Chemical physics, Solvent, Computer science, Theoretical physics