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Unusual bonding situations in Th(iv) and U(iv)-Al(iii) pnictogen complexes. [PDF]

open access: yesChem Sci
Mahawar P   +5 more
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Aromaticity rules

Nature Chemistry, 2022
The following organizations are thanked for financial support: the Ministerio de Ciencia e Innovación (MICINN, project number PID2020-113711GB-I00) and the Generalitat de Catalunya (project number 2017SGR0039)
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Dehalogenation of Aromatics by Nucleophilic Aromatic Substitution

Environmental Science & Technology, 2014
Nucleophilic aromatic substitution has been implicated as a mechanism for both the biotic and abiotic hydrodehalogenation of aromatics. Two mechanisms for the aqueous dehalogenation of aromatics involving nucleophilic aromatic substitution with hydride as a nucleophile are investigated using a validated density functional and continuum solvation ...
Sadowsky D, McNeill K, Cramer CJ
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Aromatic–aromatic and proline–aromatic interactions in endomorphin-1 and endomorphin-2

European Journal of Medicinal Chemistry, 2005
We investigated the aromatic-aromatic and proline-aromatic interactions in endomorphin-1 and endomorphin-2, and different types of these interactions were observed. For all the interacting pairs, the preferred geometric orientations were identified. We examined these interactions in the preferred secondary structures, which are different types of beta ...
Balázs, Leitgeb, Géza, Tóth
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Aromatic–Aromatic Interactions in Proteins: Beyond the Dimer

Journal of Chemical Information and Modeling, 2011
Aromatic residues are key widespread elements of protein structures and have been shown to be important for structure stability, folding, protein-protein recognition, and ligand binding. The interactions of pairs of aromatic residues (aromatic dimers) have been extensively studied in protein structures.
Esteban Lanzarotti   +4 more
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On the aromaticity of annulenones

Tetrahedron, 1972
Abstract Application of our method of predicting aromaticity 1 shows that the behavior of the annulenones is intermediate between that of the fulvenes (a nonaromatic series) and the annulenes (a series with strong alternation between aromatic and antiaromatic).
B.Andes Hess, L.J. Schaad, C.W. Holyoke
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