Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Douniazed Hannachi"'
Publikováno v:
New Journal of Chemistry. 47:1234-1246
The nature and the position of the substituents are important factors driving the NLO properties.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c03bbfecd3c3cedd00501109034223e5
https://doi.org/10.1039/d2nj03671a
https://doi.org/10.1039/d2nj03671a
Publikováno v:
New Journal of Chemistry
New Journal of Chemistry, Royal Society of Chemistry, 2021, 45, pp.13451-13462. ⟨10.1039/D1NJ01996A⟩
New Journal of Chemistry, Royal Society of Chemistry, 2021, 45, pp.13451-13462. ⟨10.1039/D1NJ01996A⟩
Density functional theory calculations at the B3LYP level are performed to theoretically investigate the antioxidant properties of 30 thiaflavan compounds. The main theoretical parameters, such as the bond dissociation enthalpy, ionization potential,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f8bb5aa6ac946439e0566c3b6b45ff24
https://doi.org/10.1039/d1nj01996a
https://doi.org/10.1039/d1nj01996a
Autor:
Nadir Ghichi, Amel Djedouani, Douniazed Hannachi, Chawki Bensouici, Ali Benboudiaf, Hocine Merazig, Helen Stoeckli-Evans
Publikováno v:
Journal of Molecular Structure. 1271:134014
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d58da18f7bd3155d58fd400866a0191a
https://doi.org/10.1016/j.molstruc.2022.134014
https://doi.org/10.1016/j.molstruc.2022.134014
Publikováno v:
Inorganic Chemistry
Inorganic Chemistry, American Chemical Society, 2021, 60 (9), pp.6616-6632. ⟨10.1021/acs.inorgchem.1c00412⟩
Inorganic Chemistry, American Chemical Society, 2021, 60 (9), pp.6616-6632. ⟨10.1021/acs.inorgchem.1c00412⟩
Discovering new materials with excellent nonlinear optical responses has recently become a very interesting research topic in the different domains of materials science. Currently, density functional theory (DFT) has been shown to be a powerful tool
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a694bfa69e1e385496b1ea56d2c6cd3
https://pubmed.ncbi.nlm.nih.gov/33844513
https://pubmed.ncbi.nlm.nih.gov/33844513
Publikováno v:
Journal of Organometallic Chemistry. 866:165-176
A new complex of oxovanadium, VOL has been synthesized from Schiff base ligand obtained by the condensation of o-phenylenediamine and 5-bromo-salicylaldehyde. All new compounds have been characterized by 1H NMR, IR spectra, UV–Vis spectroscopy, ele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::72023c400d10556dceb5d9a9300fb1d8
https://doi.org/10.1016/j.jorganchem.2018.04.015
https://doi.org/10.1016/j.jorganchem.2018.04.015
Autor:
Michel François, Solenne Fleutot, Riadh Bourzami, Douniazed Hannachi, Amel Djedouani, Hakima Chenaf-Ait youcef, Louiza Ouksel, Zineb Fellahi
Publikováno v:
Journal of Molecular Structure. 1244:130955
A new hybrid material ionic ethylenediamin-1,2-iumtetraacetic acid bisperchlorate tetrahydrate (C10H18N2O82+.2ClO4−.4H2O) as a single crystal was synthesized by the simple reaction of EthyleneDiamineTetraAcetic acid (EDTA) with perchloric acid in d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f5ca77d36228a6a817c0b53e0a522e76
https://doi.org/10.1016/j.molstruc.2021.130955
https://doi.org/10.1016/j.molstruc.2021.130955
Publikováno v:
Journal of Molecular Structure. 1242:130809
An exhaustive description of the crystal structure, DFT, TD-DFT and redox properties of a non-symmetrical nickel complex NiLOH, N,N’-2,3-hydroxyphenol -2,3-dyil-bis (salicylideneimine)nickel(II), are reported. The complex crystallizes, in the monoc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2580102f5cfbf4e1bc60362240364521
https://doi.org/10.1016/j.molstruc.2021.130809
https://doi.org/10.1016/j.molstruc.2021.130809
Publikováno v:
New Journal of Chemistry
New Journal of Chemistry, Royal Society of Chemistry, 2019, 43 (36), pp.14377-14389. ⟨10.1039/C9NJ03232K⟩
New Journal of Chemistry, Royal Society of Chemistry, 2019, 43 (36), pp.14377-14389. ⟨10.1039/C9NJ03232K⟩
The molecular structure of Ln(Tp)2 (where Ln = La to Lu rare earths and Tp = ring-unsubstituted tris(pyrazolyl)borate) complexes is determined by DFT calculations at B3LYP/CEP-121G and PBE/TZP levels. Electronic, structural, and thermodynamic propert
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1705c72df53c5c178a530c610d887ef9
https://hal.archives-ouvertes.fr/hal-02437905
https://hal.archives-ouvertes.fr/hal-02437905
Publikováno v:
Molecular Physics
Molecular Physics, Taylor & Francis, 2015, 113 (13-14), pp.1541-1550. ⟨10.1080/00268976.2014.985275⟩
Molecular Physics, Taylor & Francis, 2015, 113 (13-14), pp.1541-1550. ⟨10.1080/00268976.2014.985275⟩
Pierre Mignon and Philippe Chaumont are acknowledged for helpful discussions.; International audience; A joint experimental and theoretical study has been carried out on reversible addition-fragmentation chain transfer polymerisation (RAFT). We have
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8772c814b845c239f4efaf619f7e83b5
https://doi.org/10.1080/00268976.2014.985275
https://doi.org/10.1080/00268976.2014.985275
Publikováno v:
International Journal of Quantum Chemistry. 113:1447-1452
Theoretical studies on ytterbium trichelates, Yb(L)3(L = trifluoromethanesulfonate (OTF), perchlorate (ClO4), p-toluenesulfonic (TOS), nitrobenzenesulfonic (NBSA), and dodecylsulfate (DOS), are carried out using density functional theory method at th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7a47315acebfdd3f07c6eaae3823a162
https://doi.org/10.1002/qua.24339
https://doi.org/10.1002/qua.24339