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Structural evolution and ligand effects of (Au1L2)n, (Au2L3)n, and (Au3L4)n [n = 1–3, L = SCH3,P(CH3)2,PH2,Cl] clusters

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Published in 2019 at "Molecular Simulation"

DOI: 10.1080/08927022.2019.1630736

Abstract: ABSTRACT In this paper, we present a density-functional theory with a particle swarm optimisation algorithm to research the progress of the ligand effects of the gold (Au) structures and growth process of the [Au1L2]n, [Au2L3]n… read more here.

Keywords: ch3; ligand effects; sch3; ligand ... See more keywords