Výsledky vyhledávání - "Fabio Mariotti"

Akademický článek

Ab Initio Study of Some Persistent Nitroxide Radicals

Autor: L'uboš Horný, Fabio Mariotti, Martin Quack

Publikováno v: CHIMIA, Vol 62, Iss 4 (2008)

Stable free radicals have a variety of applications. Particularly, the aminoxyl group is frequently used in spin-labeling experiments. Nitroxides may also exhibit intriguing chiral and magnetic properties, and can be of interest for studies of molecu

Externí odkaz: https://doaj.org/article/8411e0204e6f44f8a574076c9a7e18fe

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Akademický článek

Theoretical Chemistry: Molecular Spectroscopy and Dynamics

Autor: Fabio Mariotti, Martin Quack, Martin Willeke, Jürgen Stohner

Publikováno v: CHIMIA, Vol 58, Iss 5 (2004)

We provide a short review of the scientific meeting defined by the title of this article, which may at the same time serve as a compact review of the field with a substantial number of references to recent work. Exciting new developments in experimen

Externí odkaz: https://doaj.org/article/9356cb58874a45ae8d8c9602437d6162

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Dodes (diagnostic nodes) for Guideline Manipulation

Autor: Paul-Martin Putora, Marcel Blattner, Alexander Papachristofilou, Fabio Mariotti, Beatrice Paoli, Ludwig Plasswilm

Publikováno v: Journal of Radiation Oncology Informatics. 2:1-8

Background: Treatment recommendations (guidelines) are commonly represented in text form. Based on parameters (questions) recommendations are defined (answers). Objectives: To improve handling, alternative forms of representation are required. Method

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e8a2d04fd4b7733d3b67da8bef1b5884
https://doi.org/10.5166/jroi-2-1-6

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Charge Distribution in Bis-Dioxolene Radical Metal Complexes. Synthesis and DFT Characterization of Dinuclear Co(III) and Cr(III) Complexes with a Mixed-Valent, S = 1/2 Semiquinone-Catecholate Ligand

Autor: Alessandro Bencini, Fabio Mariotti, Claude A. Daul, Hyoyoung Lee, A. Dei, David A. Shultz, Lorenzo Sorace

Publikováno v: Inorganic Chemistry. 40:1582-1590

Bis-dioxolene bridged dinuclear metal complexes of general formula M2(CTH)2(diox-diox)(PF6)n (n = 2, 3; M = Co(III), Cr(III); CTH = tetraazamacrocycle) have been synthesized using the bis-bidentate ligand 5,5'-di-tert-butyl-3,3',4,4'-tetrahydroxybiph

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5c629ff22eae2560a686ac6ec8ea1774
https://doi.org/10.1021/ic0007052

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Density functional description of the early stages of the dioxygenation of [(MeC(CH2PPh2)3)M(catecholate)]+ complexes [M = Co(III), Ir(III)]: toward a rationalization of the catalytic mechanism of ring-opening dioxygenases

Autor: Alessandro Bencini, Fabio Mariotti, Angelo Vargas, Eckhard Bill, and Andrea Scozzafava, Federico Totti

Publikováno v: Inorganic chemistry. 39(7)

Density Functional Theory (DFT) has been applied to characterize the early stages of the reaction of dioxygenation of [(triphos)M(catecholate)]+ complexes [M = Co(III), Ir(III); triphos = MeC(CH2PPh2)3], which have been considered to be models of rin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8ca3503186920cae4e533083641bbea
https://pubmed.ncbi.nlm.nih.gov/12526444

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