Charge-State-Dependent Structural Transitions and Aromatic Stabilization in Anionic and Neutral RuSin(n = 7-11) Clusters.
Sign Up to like & getrecommendations! Published in 2025 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.5c02404
Abstract: Transition metal (TM)-doped silicon clusters represent critical model systems for understanding nanoscale hybridization and stability mechanisms. This study provides a comprehensive analysis of structural evolution, electronic properties, and thermodynamic stability in ruthenium-doped silicon clusters (RuSiǹ…/0,… read more here.
Keywords: charge state; structural transitions; aromatic stabilization; state dependent ... See more keywords
Aromatic stabilization energies in excited states at the multiconfigurational level: assessment in archetypal organic rings
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DOI: 10.1039/d4ra05147e
Abstract: In this study, the excited state (anti)aromaticity of archetypal rings: benzene, cyclobutadiene, and cyclooctatetraene, was investigated using the energetic criterion by calculating aromatic stabilization energies. Calculations were performed at the multiconfigurational level, including dynamic correlation… read more here.
Keywords: stabilization energies; aromatic stabilization; multiconfigurational level; excited states ... See more keywords