Zobrazeno 1 - 10 of 90 pro vyhledávání: '"Slavko, Radenković"'
1
Akademický článek
The B2 Structural Motif as a Tool for Modulating Ring Currents in Monocyclic Li Clusters
Autor: Slađana Đorđević, Slavko Radenković
Publikováno v: Chemistry, Vol 3, Iss 3, Pp 1063-1073 (2021)
Magnetically induced current densities, calculated at the M06-2X/def2-TZVP level using the diamagnetic-zero version of the continuous transformation of origin of current density (CTOCD-DZ) method, were employed to study the aromaticity in Li3B2− an
Externí odkaz: https://doaj.org/article/af2dac5f0f98419c986077467c63d82f
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2
Akademický článek
On the Nature of the Bonding in Coinage Metal Halides
Autor: Slađana Đorđević, Slavko Radenković, Sason Shaik, Benoît Braïda
Publikováno v: Molecules, Vol 27, Iss 2, p 490 (2022)
This article analyzes the nature of the chemical bond in coinage metal halides using high-level ab initio Valence Bond (VB) theory. It is shown that these bonds display a large Charge-Shift Bonding character, which is traced back to the large Pauli p
Externí odkaz: https://doaj.org/article/745f107449f746459088b20ec914a28b
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3
Akademický článek
Effect of a Ring onto Values of Eigenvalue–Based Molecular Descriptors
Autor: Izudin Redžepović, Slavko Radenković, Boris Furtula
Publikováno v: Symmetry, Vol 13, Iss 8, p 1515 (2021)
The eigenvalues of the characteristic polynomial of a graph are sensitive to its symmetry-related characteristics. Within this study, we have examined three eigenvalue–based molecular descriptors. These topological molecular descriptors, among othe
Externí odkaz: https://doaj.org/article/35cc7553480841f58e5c038096a2dc14
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5
The lowest nπ* states of heteroaromatics: When and in what way are they aromatic or antiaromatic?
Autor: Nathalie Proos Vedin, Sílvia Escayola, Slavko Radenković, Miquel Solà, Henrik Ottosson
Heteroaromatic molecules are ubiquitous and found in many areas of chemistry, ranging from biochemistry to organic electronics. Herein we analyse the nπ* excited states of (4n+2)π-electron heteroaromatic compounds that have in-plane lone-pair orbit
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9b69e4fa651fdfc2b791aa5847ff200f
https://doi.org/10.26434/chemrxiv-2023-jx5l5
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7
Electronic structure, stability, and aromaticity of M2B6 (M = Mg, Ca, Sr, and Ba): an interplay between spin pairing and electron delocalization
Autor: Slađana Đorđević, Slavko Radenković
Publikováno v: Physical Chemistry Chemical Physics. 24:5833-5841
M2B6 (M = Mg, Ca, Sr and Ba) exhibit a singlet ground state, despite the fact that these complexes are π aromatic and σ nonaromatic in the singlet, and double (π and σ) aromatic in the triplet state.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::32a200a5e3a21f66b4b04ced48466cd1
https://doi.org/10.1039/d1cp04791d
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8
The B2 Structural Motif as a Tool for Modulating Ring Currents in Monocyclic Li Clusters
Autor: Slavko Radenković, Slađana Đorđević
Publikováno v: Chemistry, Vol 3, Iss 77, Pp 1063-1073 (2021)
Chemistry
Volume 3
Issue 3
Pages 77-1073
Magnetically induced current densities, calculated at the M06-2X/def2-TZVP level using the diamagnetic-zero version of the continuous transformation of origin of current density (CTOCD-DZ) method, were employed to study the aromaticity in Li3B2− an
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ddffdb7da89986ac04d0b170be4bd2c9
https://www.mdpi.com/2624-8549/3/3/77
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9
Curcumin and Diclofenac Therapeutic Efficacy Enhancement Applying Transdermal Hydrogel Polymer Films, Based on Carrageenan, Alginate and Poloxamer
Autor: Katarina S. Postolović, Milan D. Antonijević, Biljana Ljujić, Slavko Radenković, Marina Miletić Kovačević, Zoltan Hiezl, Svetlana Pavlović, Ivana Radojević, Zorka Stanić
Publikováno v: Polymers; Volume 14; Issue 19; Pages: 4091
Polymers
Films based on carrageenan, alginate and poloxamer 407 have been formulated with the main aim to apply prepared formulations in wound healing process. The formulated films were loaded with diclofenac, an anti-inflammatory drug, as well as diclofenac
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::264e670b275c32fafbb8537b2935e9f8
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10
Azaboracyclooctatetraenes Reveal that the Different Aspects of Triplet State Baird-Aromaticity are Nothing but Different
Autor: Preethanuj Preethalayam, Nathalie Proos Vedin, Slavko Radenković, Henrik Ottosson
The Baird-aromaticity of BN/CC cyclooctatetraene isosteres (azaboracyclooctatetraenes) in their lowest triplet states (T1) has been explored through computations of various aromaticity indices describing the different aspects of aromaticity (magnetic
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::73aaec0b28c9caee7c9bd59b1c39329b
https://doi.org/10.26434/chemrxiv-2022-btd57
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