Ellinger, Yves | Archive ouverte UNIGE

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Title	Published in	Year	Views	Downloads

Physisorption of Molecular Hydrogen on Polycyclic Aromatic Hydrocarbons: A Theoretical Study	Journal of Physical Chemistry. B	2002	641	0
Characterization of transient radicals in the reduction product of the -P=C=C=P- system: EPR and theoretical studies	PCCP. Physical chemistry chemical physics	2002	646	0
EPR and theoretical studies of the reduction product of the fulvenephosphaallene system	Journal of organometallic chemistry	2001	719	335
Reply to comment on "Theoretical study of interstellar hydroxylamine chemistry : protonation and proton transfer mediated by H+3"	Chemical physics	2000	554	0
An ab initio and DFT study of (N2)2 dimers	Chemical physics letters	1999	673	384
Theoretical Study of Interstellar Hydroxylamine Chemistry: Protonation and Proton Transfer Mediated by H3+	Chemical physics	1999	645	1
Density functional theory with an approximate kinetic energy functional applied to study structure and stability of weak van der Waals complexes	The Journal of chemical physics	1998	656	0
The diphosphaallene radical anion : EPR an theoretical investigations	Journal of the Chemical Society. Perkin transactions II	1998	611	0
Reduction of monophosphaallenes: An EPR study and ab inition investigations of (HPCCH2)-. and (HPCHCH2). radicals	The journal of physical chemistry. A	1998	615	0
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	The journal of physical chemistry. A	1997	636	0
Interstellar silicon-nitrogen chemistry. 4. Which reaction paths to HSiN and HNSi ? : an extensive ab initio investigation with crucial consequences for molecular astrophysics	The journal of physical chemistry. A	1997	551	0
The structure of diphosphaallenic radical cations as evidenced by EPR experiments and ab initio calculations	Journal of the Chemical Society. Perkin transactions II	1997	613	0
The PAH hypothesis : a computational experiment on the combined effects of ionization and dehydrogenation on the IR signatures	Astronomy & astrophysics	1997	563	0
Isomerization versus hydrogen exchange reaction in the HNC HCN conversion	Chemical physics letters	1996	699	415
On the HCN/HNC abundance ratio : a theoretical study of the H + CNH HCN + H exchange reaction	Astronomy & astrophysics	1996	599	0
Second-order perturbation theory using correlated orbitals. II. A coupled MCSCF perturbation strategy for electronic spectra and its applications to ethylene, formaldehyde and vinylidene	Chemical physics	1996	618	433
Interstellar silicon-nitrogen chemistry. III. The spectral signatures of the H2SiN+ molecular ion	The Journal of chemical physics	1996	635	0
The electroaffinity of O2 by DFT and coupled MCSCF/perturbation approaches : a computational experiment	Chemical physics letters	1996	633	288
Interstellar silicon-nitrogen chemistry. 1, The microwave and the infrared signatures of the HSiN, HNSi, HSiNH?2, HNSiH2 and HSiNH+ species	Chemical physics	1996	633	395
The shape of the ground and lowest two excited states of H2NO	The Journal of chemical physics	1995	651	0
Chirality and spin density : ab initio and density functional approaches	International journal of quantum chemistry	1993	554	1
Conformational dependence of ß-hyperfine coupling constants in the nitroxide series	Journal of physical chemistry. C	1992	531	0
Phosphaalkene radical anions : electrochemical generation, ab initio predictions, and ESR study	Journal of physical chemistry. C	1992	556	0
An EPR and ab initio study of a phosphaalkene radical anion and comparison with other phosphorus-containing radical ions	Bulletin of magnetic resonance	1992	451	2