Zobrazeno 1 - 10
of 97
pro vyhledávání: '"SLAVKO RADENKOVIĆ"'
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
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
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
Publikováno v:
Journal of the Serbian Chemical Society, Vol 75, Iss 7, Pp 943-950 (2010)
Cyclic conjugation in benzo-annelated triphenylenes was studied by means of the energy effect (ef) and the π-electron content (EC) of the six-membered rings. A regularity that was earlier discovered in the case of acenaphthylene and fluoranthene con
Externí odkaz:
https://doaj.org/article/e2f73240fa0140519894a9d36d273799
Publikováno v:
Macedonian Journal of Chemistry and Chemical Engineering, Vol 29, Iss 1, Pp 63-69 (2010)
The cyclic conjugation in benzo-annelated coronenes is studied by means of the energy effect (ef) and π-electron content (EC) of the six-membered rings. Some peculiarities of the π-electron structure of benzo-coronenes, inferred by the Clar aromati
Externí odkaz:
https://doaj.org/article/5587ff6c8e264f4db9d2555f9f791335
Publikováno v:
Journal of the Serbian Chemical Society, Vol 75, Iss 1, Pp 83-90 (2010)
In a recent work, a method was developed for assessing the influence ief(G, Z0|Z1) of a ring Z1 on the energy effect of another ring Z0 in a polycyclic conjugated molecule G. Herein, a report is given of detailed numerical investigations of ief(G, Z0
Externí odkaz:
https://doaj.org/article/80cd46b050ad4bb7a5125f2cae7b8fac
Autor:
SLAVKO RADENKOVIĆ, IVAN GUTMAN
Publikováno v:
Journal of the Serbian Chemical Society, Vol 74, Iss 2, Pp 155-158 (2009)
The commonly accepted opinion that the thermodynamic stability of isomeric benzenoid hydrocarbons (assessed by their total π-electron energy and various resonance energies) increases with increasing number of Kekulé structures is shown to be violat
Externí odkaz:
https://doaj.org/article/59d8c98fdc86436aba99b0351fc9cc67
Publikováno v:
Chemistry – A European Journal.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e2bbfca313d0512e7dbee9c9d4ae9b3c
https://doi.org/10.1002/chem.202300992
https://doi.org/10.1002/chem.202300992
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
https://doi.org/10.1039/d1cp04791d
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
https://doi.org/10.26434/chemrxiv-2023-jx5l5
