Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Petronela M. Petrar"'
Publikováno v:
Polyhedron. 109:154-160
New stable functionalized bis(fluorenyl)stannane derivatives with the general formula (9-SiMe3-CR2)(9-R′-CR2)SnX2 (CR2 = 9-fluorenyl, R′ = H, SiMe3, X = Br, Cl, OCOCH3) were obtained starting from the corresponding tetraorgano-tin compounds of Ph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d8610aecfc41cc9082c34aa85d634ee9
https://doi.org/10.1016/j.poly.2016.01.044
https://doi.org/10.1016/j.poly.2016.01.044
Autor:
Luminiţa Silaghi-Dumitrescu, Gabriela Nemes, Petronela M. Petrar, Noémi Deak, Sonia Mallet-Ladeira, David Madec
Publikováno v:
Chemistry-A European Journal
Chemistry-A European Journal, Wiley-VCH Verlag, 2016, 22 (4), pp.1349-1354. ⟨10.1002/chem.201504507⟩
Chemistry-A European Journal, 2016, 22 (4), pp.1349-1354. ⟨10.1002/chem.201504507⟩
Chemistry-A European Journal, Wiley-VCH Verlag, 2016, 22 (4), pp.1349-1354. ⟨10.1002/chem.201504507⟩
Chemistry-A European Journal, 2016, 22 (4), pp.1349-1354. ⟨10.1002/chem.201504507⟩
The synthesis and characterization of an E2 CE2 bis-sulfonyl aryl pincer ligand and its efficiency for the stabilization of compounds containing low-valent Group 14 elements (Ge and Sn) are reported. Complexation reaction of these metallylenes with i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d856111a0914762db93ae06c464be829
https://doi.org/10.1002/chem.201504507
https://doi.org/10.1002/chem.201504507
Publikováno v:
The journal of physical chemistry. A. 121(12)
Explaining the nature of the E-O chemical bond (E = Si, Ge, Sn) has been a great challenge for theoretical chemists during the last decades. Among the large number of models used for this purpose, the one based on hyperconjugative interactions sheds
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::692b5e0b3c6f4a16bd339cc0be3e919d
https://pubmed.ncbi.nlm.nih.gov/28282141
https://pubmed.ncbi.nlm.nih.gov/28282141
Autor:
Eduardo Cruz-Flores, Joaquín Barroso-Flores, Rodrigo Galindo-Murillo, Sándor Kunsági-Máté, Petronela M. Petrar, Alberto Olmedo-Romero
Publikováno v:
Computational and Theoretical Chemistry. 1035:84-91
The suitability of eight differently substituted calix[n]arenes (with R = -OEt; SO3H and n = 4, 5, 6, 8) as drug delivery agents for 3-phenyl-1H-[1]benzofuro[3,2-c]pyrazole (henceforth referred to as GTP), a promising new tyrosine kinase inhibitor dr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bee07f50443f43706ff390fedf659ba3
https://doi.org/10.1016/j.comptc.2014.03.001
https://doi.org/10.1016/j.comptc.2014.03.001
Publikováno v:
Comptes Rendus Chimie. 16:153-158
A computational study at different levels of theory was performed for the not yet synthesized phosphastannaallenes >Sn C P– in order to evaluate the strength of the Sn C bond, the main postulated factor to stabilize such species, and the geometry i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fd3b23a58cba4d682e52f57e0e8f52d8
https://doi.org/10.1016/j.crci.2012.10.013
https://doi.org/10.1016/j.crci.2012.10.013
Autor:
Jean Escudié, Dimitri Matioszek, Ionel Haiduc, Tibor-Gabor Kocsor, Annie Castel, Nathalie Saffon, Petronela M. Petrar, Gabriela Nemes
Publikováno v:
Inorganic Chemistry. 51:7782-7787
The first diphosphaalkenylstannylene stabilized through complexation with a carbene NHC-Sn[C(Cl)═PMes*](2)1 (Mes* = 2,4,6-tri-tert-butylphenyl; NHC = :C{N(iPr)C(Me)}(2)) was isolated and fully characterized including single crystal X-ray diffractio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f95f842ac02fd9a8f13769b62468c6ef
https://doi.org/10.1021/ic300810q
https://doi.org/10.1021/ic300810q
Publikováno v:
Journal of Inclusion Phenomena and Macrocyclic Chemistry. 75:39-46
Ab initio calculations at the HF/6-31G(d) level of theory were performed on a series of thiacalix[4]arenes and calix[6]arenes in presence and in absence of monovalent (Li+, Na+ and Cs+) and divalent cations (Ca2+ and Ba2+) respectively, in order to e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fa6d9be251a09177fd17bd23e6921871
https://doi.org/10.1007/s10847-012-0144-6
https://doi.org/10.1007/s10847-012-0144-6
Theoretical Investigation on the PCP(O) Linear Moiety: How to Stabilize Diphosphaallenic Derivatives
Publikováno v:
Phosphorus, Sulfur, and Silicon and the Related Elements. 186:2321-2331
Density functional theory calculations on phosphavinylidene(oxo)phosphorane RP˭C˭P(˭O)R′ I are reported, where the R and R′ groups represent substituents with various electron-donor or electron-acceptor properties and different steric hindranc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::25f118e4986d0780abe02081f6214fef
https://doi.org/10.1080/10426507.2011.597805
https://doi.org/10.1080/10426507.2011.597805
Publikováno v:
Journal of Molecular Modeling. 17:1719-1725
DFT calculations have been performed on the derivatives of formula CH2OP2 to determine their total energy, the relative energy between the isomers and their geometry. Among compounds with a P-C-P linkage, the most stable one is the 2-hydroxy-1,2-diph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::382b6a130b783836d7ecd3462cd446bd
https://doi.org/10.1007/s00894-010-0872-8
https://doi.org/10.1007/s00894-010-0872-8
Autor:
Henri Ranaivonjatovo, Petronela M. Petrar, Ioan Silaghi-Dumitrescu, Jean Escudié, Gabriela Nemes
Publikováno v:
Molecular Physics
Molecular Physics, Taylor & Francis, 2009, 107, pp.1161-1167
Molecular Physics, Taylor & Francis, 2009, 107 (08-12), pp.1161-1167. ⟨10.1080/00268970902780288⟩
Molecular Physics, 2009, 107 (08-12), pp.1161-1167. ⟨10.1080/00268970902780288⟩
Molecular Physics, Taylor & Francis, 2009, 107, pp.1161-1167
Molecular Physics, Taylor & Francis, 2009, 107 (08-12), pp.1161-1167. ⟨10.1080/00268970902780288⟩
Molecular Physics, 2009, 107 (08-12), pp.1161-1167. ⟨10.1080/00268970902780288⟩
The geometries of all possible isomers of the model compound H2Ge=C=PH were optimized at the B3LYP/6-31G(d,p) level of the theory. The calculation were repeated at higher correlated methods with similar results and for the the isomers of the methyl-s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::396380f6dce99dd5e9fb852cc5fbd1c5
https://doi.org/10.1080/00268970902780288
https://doi.org/10.1080/00268970902780288