Zobrazeno 1 - 4 of 4 pro vyhledávání: '"Jean Drujon"'
1
On the Catalysis of the Cycloisomerization of 1,6-Dienes with Tin(IV) Salts: The Important Role of a Water Molecule
Autor: Paola Nava, Julien Godeau, Jean Drujon, Stéphane Humbel, Yannick Carissan, Elisabet Duñach, Sylvain Antoniotti, Fanny Grau
Publikováno v: ChemCatChem
ChemCatChem, Wiley, 2014, ChemCatChem, 6, pp.500-507. ⟨10.1002/cctc.201300952⟩
ChemCatChem, 2014, ChemCatChem, 6, pp.500-507. ⟨10.1002/cctc.201300952⟩
International audience; A diene cycloisomerisation reaction catalysed by tin(IV) triflimi- date is studied by using DFT computations. It is proposed that the mechanism does not involve the direct addition of the tin(IV) cation to a double bond becaus
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::08a1dc0b675ea6436278e8bda4d0ea6e
https://doi.org/10.1002/cctc.201300952
Zobrazit plný text záznamu
2
trans-1,2-Disiloxybenzocyclobutene, an adequate partner for the auto-oxidation: EPR/spin trapping and theoretical studies
Autor: Virginie Héran, Raphaël Rahmani, Béatrice Tuccio, Laurent Commeiras, Jean-Luc Parrain, Yannick Carissan, Romain Blanc, Jean Drujon
Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16, pp.7513-7520. ⟨10.1039/c3cp55077j⟩
Physical Chemistry Chemical Physics, 2014, 16, pp.7513-7520. ⟨10.1039/c3cp55077j⟩
International audience; The auto-oxidation of trans-1,2-disiloxybenzocyclobutene was found to be very efficient, giving endoperoxide in quantitative yield. Each step of the mechanism of spin-forbidden addition of triplet oxygen O2 was studied by both
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ebdc28ec7baf05c8c240e750233ddc4
https://doi.org/10.1039/c3cp55077j
Zobrazit plný text záznamu
3
Pseudopotentials for hybridized carbon atoms
Autor: Jean Drujon, Yannick Carissan
Publikováno v: Journal of Computational Chemistry
Journal of Computational Chemistry, Wiley, 2013, 34 (1), pp.49-59. ⟨10.1002/jcc.23104⟩
Journal of Computational Chemistry, 2013, 34 (1), pp.49-59. ⟨10.1002/jcc.23104⟩
Pseudopotentials for hybridized atoms are extracted and combined. The study focuses on sp(2) carbon atoms and their combination to give rise to a π electronic system. As electrons of interest are treated explicitly, any ab initio method can be used,
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9546aa0552f805442908f5638cfe4f75
https://hal.archives-ouvertes.fr/hal-01447588
Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání

Omezení vyhledávání
Plný text Recenzováno Digitální knihovna AV ČR
Zdroje