Zobrazeno 1 - 10
of 47
pro vyhledávání: '"Christine Dézarnaud-Dandine"'
Publikováno v:
Phys. Chem. Chem. Phys.. 6:3228-3234
The topological analysis of the ELF function calculated at the DFT level for (NO)2, (NO)2− and (NO)22− reveals a regular variation in the NN bonding. In the neutral species, a very weak attraction results form the fluctuation of a small electron
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4b7be26e04a2db263d4b31a6b7316500
https://doi.org/10.1039/b401310g
https://doi.org/10.1039/b401310g
Publikováno v:
ChemPhysChem. 2:583-590
The potential activation by electron capture of H2+CO2 or CO+H2O reactions, leading to HCOOH (formic acid), and of CO+NH3, HCN+H2O and HNC+H2O reactions, leading to HC(O)NH2 (formamide), have been studied theoretically. Ab initio calculations at the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dfc08e1c1082531488ca70a5cd141c4b
https://doi.org/10.1002/1439-7641(20011015)2:10<583::aid-cphc583>3.0.co
https://doi.org/10.1002/1439-7641(20011015)2:10<583::aid-cphc583>3.0.co
Autor:
Derek Jones, F Bournel, Alberto Modelli, Michel Tronc, Christine Dézarnaud-Dandine, Claire Mangeney
Publikováno v:
Chemical Physics. 265:105-112
The sulfur K-shell photoabsorption spectra (XAS) and the electron transmission spectra (ETS) have been obtained for a series of cyclic polymethylene sulfides (CH 2 ) n S with n =2, 3, 4, 5. These spectra are dominated by similar broad resonances with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::15bfee89aeaec4108f96b4801ba00c34
https://doi.org/10.1016/s0301-0104(01)00276-2
https://doi.org/10.1016/s0301-0104(01)00276-2
Publikováno v:
Chemical Physics. 254:99-108
It is shown that electron capture by a reactant may catalyze condensation reactions that otherwise would require higher activation energies in the neutral state. Two competitive processes have been examined in the CO2H2 system: (a) CO 2 +H 2 → HCOO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db4ff71bd30a65427d46c2ec79efaae9
https://doi.org/10.1016/s0301-0104(00)00016-1
https://doi.org/10.1016/s0301-0104(00)00016-1
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 31:L497-L502
shape resonances involving S - C and S - S antibonding levels have been observed in low-energy electron transmission spectroscopy (ETS) and sulphur 1s excitation spectra (XAS) of dimethylsulphide (DMS), dimethyldisulphide (DMDS) and dimethyltrisulphi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2c2aaffc8ca9819f49714d0cc65bb24
https://doi.org/10.1088/0953-4075/31/11/004
https://doi.org/10.1088/0953-4075/31/11/004
Publikováno v:
Chemical Physics Letters. 286:317-320
The 3p (M3, M2) X-ray absorption spectrum of tungsten (2200–2600 eV) in gaseous WF6 has been obtained with synchrotron radiation using a total ion yield technique. Both the 3p3/2 and 3p1/2 spectra are dominated by the 3p→5d unresolved ligand-fiel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8523eb98e77c3ec80d591cce5f931d7b
https://doi.org/10.1016/s0009-2614(98)00113-4
https://doi.org/10.1016/s0009-2614(98)00113-4
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 424:67-76
A theoretical exploratory comparison of steric effects in the ground state and unstable temporary anion species formed by electron attachment has been achieved for open-chain and three-membered ring compounds bearing O, N, and P atoms. The quantum ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a45197d3b8422e9b68a0b5f7d5d31fdc
https://doi.org/10.1016/s0166-1280(97)00231-5
https://doi.org/10.1016/s0166-1280(97)00231-5
Publikováno v:
Chemical Physics. 224:281-300
Inner-shell excitation spectra of GeCl 4 , SnCl 4 , PCl 3 and AsCl 3 were obtained in gas phase at room temperature with a total ion-yield technique at the LURE Super ACO and DCI storage rings in Orsay. The inner-shell excitation spectra include Ge 2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ffecb01a754051b40c162223372235d3
https://doi.org/10.1016/s0301-0104(97)00280-2
https://doi.org/10.1016/s0301-0104(97)00280-2
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 371:69-78
A comparison has been made between the electron acceptor properties of various three membered ring molecules, XCH2CY2 (X = O, NH, S, PH; Y = H, F). In a first step, the emphasis has been put on the ability of these substrates to accommodate an extra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::baad0fae8cb18561ed235ea179573936
https://doi.org/10.1016/s0166-1280(96)04740-9
https://doi.org/10.1016/s0166-1280(96)04740-9
Autor:
Giovanna Fronzoni, Piero Decleva, Alberto Modelli, Adriana Lisini, Florence Guillot, Christine Dézarnaud-Dandine, Michel Tronc
Publikováno v:
Chemical Physics. 205:359-378
The lower-lying empty levels of gaseous GeH4, GeCl4 and Ge(CH3)3Cl have been studied using X-ray absorption spectroscopy (XAS), inner shell electron energy loss spectrocopy (ISEELS), electron transmission spectroscopy (ETS), dissociative electron att
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c33593e7b62c3d0fff5d116ecdf2db7
https://doi.org/10.1016/0301-0104(95)00431-9
https://doi.org/10.1016/0301-0104(95)00431-9