Conformation, hydration, and ligand exchange process of ruthenium nitrosyl complexes in aqueous solution Free-energy calculations by a combination of molecular-orbital theories and different solvent models

Conformation, hydration, and ligand exchange process of ruthenium nitrosyl complexes in aqueous solution : Free-energy calculations by a combination of molecular-orbital theories and different solvent models

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 44(2023), 4 vom: 05. Feb., Seite 546-558
1. Verfasser: Kido, Kentaro (VerfasserIn)
Weitere Verfasser: Kaneko, Masashi
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2023
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article free energy and multicenter molecular Ornstein-Zernike method hydration structure molecular-orbital calculation ruthenium nitrosyl
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