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 TitleAuthors / EditorsDate
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An ab initio and DFT study of (N2)2 dimers Couronne, Olivier; Ellinger, Yves 1999
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An EPR and ab initio study of a phosphaalkene radical anion and comparison with other phosphorus-containing radical ions Terron Tentor, Gustavo; Jouaiti, Abdelaziz; Tordo, P.; Ellinger, Yves 1992
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Characterization of transient radicals in the reduction product of the -P=C=C=P- system: EPR and theoretical studies Sidorenkova Cruz Gonzalez, Elena; Chentit, Mostafa; Choua, Sylvie; Geoffroy, Michel; Ellinger, Yves 2002
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Chirality and spin density : ab initio and density functional approaches Fluekiger, Peter Frank; Weber, Jacques; Chiarelli, R.; Rassat, A.; Ellinger, Yves 1993
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Comparative study of benzene··· X (X = O2, N2, CO) complexes using density functional theory : the importance of an accurate exchange-correlation energy density at high reduced density gradients Wesolowski, Tomasz Adam; Parisel, Olivier; Ellinger, Yves; Weber, Jacques 1997
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Conformational dependence of ß-hyperfine coupling constants in the nitroxide series Ricca, Alessandra; Tronchet, Jean M.J.; Weber, Jacques; Ellinger, Yves 1992
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Density functional theory with an approximate kinetic energy functional applied to study structure and stability of weak van der Waals complexes Wesolowski, Tomasz Adam; Ellinger, Yves; Weber, Jacques 1998
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EPR and theoretical studies of the reduction product of the fulvenephosphaallene system Chentit, Mostafa; Sidorenkova Cruz Gonzalez, Elena; Choua, Sylvie; Geoffroy, Michel; ... Bernardinelli, Gérald Hugues 2001
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Interstellar silicon-nitrogen chemistry. 1, The microwave and the infrared signatures of the HSiN, HNSi, HSiNH?2, HNSiH2 and HSiNH+ species Parisel, Olivier; Hanus, Marc; Ellinger, Yves 1996
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Interstellar silicon-nitrogen chemistry. 4. Which reaction paths to HSiN and HNSi ? : an extensive ab initio investigation with crucial consequences for molecular astrophysics Parisel, Olivier; Hanus, Marc; Ellinger, Yves 1997
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Interstellar silicon-nitrogen chemistry. III. The spectral signatures of the H2SiN+ molecular ion Parisel, Olivier; Hanus, Marc; Ellinger, Yves 1996
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Isomerization versus hydrogen exchange reaction in the HNC HCN conversion Talbi, Dahbia; Ellinger, Yves 1996
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On the HCN/HNC abundance ratio : a theoretical study of the H + CNH HCN + H exchange reaction Talbi, Dahbia; Ellinger, Yves; Herbst, E. 1996
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Phosphaalkene radical anions : electrochemical generation, ab initio predictions, and ESR study Geoffroy, Michel; Jouaiti, Abdelaziz; Terron, Gustavo; Cattani-Lorente, Maria Angeles; Ellinger, Yves 1992
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Physisorption of Molecular Hydrogen on Polycyclic Aromatic Hydrocarbons: A Theoretical Study Tran, Fabien; Weber, Jacques; Wesolowski, Tomasz Adam; Cheikh, Frikia; ... Pauzat, Françoise 2002
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Reduction of monophosphaallenes: An EPR study and ab inition investigations of (HPCCH2)-. and (HPCHCH2). radicals Chentit, Mostafa; Sidorenkova Cruz Gonzalez, Elena; Geoffroy, Michel; Ellinger, Yves 1998
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Reply to comment on "Theoretical study of interstellar hydroxylamine chemistry : protonation and proton transfer mediated by H+3" Boulet, P.; Gilardoni, F.; Weber, Jacques; Chermette, Henry; Ellinger, Yves 2000
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Second-order perturbation theory using correlated orbitals. II. A coupled MCSCF perturbation strategy for electronic spectra and its applications to ethylene, formaldehyde and vinylidene Parisel, Olivier; Ellinger, Yves 1996
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The diphosphaallene radical anion : EPR an theoretical investigations Sidorenkova Cruz Gonzalez, Elena; Chentit, Mostafa; Jouaiti, Abdelaziz; Terron Tentor, Gustavo; ... Ellinger, Yves 1998
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The electroaffinity of O2 by DFT and coupled MCSCF/perturbation approaches : a computational experiment Parisel, Olivier; Ellinger, Yves; Giessner-Prettre, Claude 1996
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The PAH hypothesis : a computational experiment on the combined effects of ionization and dehydrogenation on the IR signatures Pauzat, Françoise; Talbi, Dahbia; Ellinger, Yves 1997
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The shape of the ground and lowest two excited states of H2NO Ricca, Alessandra; Weber, Jacques; Hanus, Marc; Ellinger, Yves 1995
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The structure of diphosphaallenic radical cations as evidenced by EPR experiments and ab initio calculations Chentit, Mostafa; Sidorenkova Cruz Gonzalez, Elena; Jouaiti, Abdelaziz; Terron Tentor, Gustavo; ... Ellinger, Yves 1997
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Theoretical Study of Interstellar Hydroxylamine Chemistry: Protonation and Proton Transfer Mediated by H3+ Boulet, Pascal; Gilardoni, François; Weber, Jacques; Chermette, Henry; Ellinger, Yves 1999