| Year |
Citation |
Score |
| 2018 |
Luspay-Kuti A, Mousis O, Lunine JI, Ellinger Y, Pauzat F, Raut U, Bouquet A, Mandt KE, Maggiolo R, Ronnet T, Brugger B, Ozgurel O, Fuselier SA. Origin of Molecular Oxygen in Comets: Current Knowledge and Perspectives. Space Science Reviews. 214. PMID 30613113 DOI: 10.1007/S11214-018-0541-2 |
0.596 |
|
| 2018 |
Ozgurel O, Pauzat F, Pilmé J, Ellinger Y, Bacchus-Montabonel MC, Mousis O. Protonated ions as systemic trapping agents for noble gases: From electronic structure to radiative association. The Journal of Chemical Physics. 147: 134305. PMID 28987118 DOI: 10.1063/1.4994630 |
0.636 |
|
| 2018 |
Ozgurel O, Mousis O, Pauzat F, Ellinger Y, Markovits A, Vance S, Leblanc F. Sodium, Potassium, and Calcium in Europa: An Atomic Journey through Water Ice The Astrophysical Journal. 865: L16. DOI: 10.3847/2041-8213/Aae091 |
0.602 |
|
| 2018 |
Bouquet A, Mousis O, Teolis B, Nicolaou G, Ozgurel O, Pauzat F, Ellinger Y, Ronnet T, Waite JH. Limits on the Contribution of Endogenic Radiolysis to the Presence of Molecular Oxygen in Comet 67P/Churyumov–Gerasimenko The Astrophysical Journal. 864: 9. DOI: 10.3847/1538-4357/aad22f |
0.579 |
|
| 2017 |
Mousis O, Ozgurel O, Lunine JI, Luspay-Kuti A, Ronnet T, Pauzat F, Markovits A, Ellinger Y. Stability of Sulphur Dimers (S2) in Cometary Ices The Astrophysical Journal. 835: 134. DOI: 10.3847/1538-4357/Aa5279 |
0.617 |
|
| 2017 |
Zicler E, Parisel O, Pauzat F, Ellinger Y, Bacchus-Montabonel M, Maillard J. Search for hydrogen-helium molecular species in space Astronomy & Astrophysics. 607: A61. DOI: 10.1051/0004-6361/201731441 |
0.774 |
|
| 2016 |
Zicler E, Bacchus-Montabonel MC, Pauzat F, Chaquin P, Ellinger Y. Communication: The formation of CHe(2+) by radiative association. The Journal of Chemical Physics. 144: 111103. PMID 27004855 DOI: 10.1063/1.4943979 |
0.743 |
|
| 2016 |
Mousis O, Ronnet T, Brugger B, Ozgurel O, Pauzat F, Ellinger Y, Maggiolo R, Wurz P, Vernazza P, Lunine JI, Luspay-Kuti A, Mandt KE, Altwegg K, Bieler A, Markovits A, et al. Origin of molecular oxygen in comet 67p/churyumov-gerasimenko Astrophysical Journal Letters. 823. DOI: 10.3847/2041-8205/823/2/L41 |
0.611 |
|
| 2016 |
Pauzat F, Bacchus-Montabonel M, Ellinger Y, Mousis O. TRAPPING OF NOBLE GASES BY RADIATIVE ASSOCIATION WITH ${{\rm{H}}}_{3}^{+}$ IN THE PROTOSOLAR NEBULA The Astrophysical Journal. 821: L33. DOI: 10.3847/2041-8205/821/2/L33 |
0.594 |
|
| 2015 |
Ellinger Y, Pauzat F, Mousis O, Guilbert-Lepoutre A, Leblanc F, Ali-Dib M, Doronin M, Zicler E, Doressoundiram A. Neutral Na in cometary tails as a remnant of early aqueous alteration Astrophysical Journal Letters. 801. DOI: 10.1088/2041-8205/801/2/L30 |
0.555 |
|
| 2015 |
Lattelais M, Pauzat F, Ellinger Y, Ceccarelli C. Differential adsorption of CHON isomers at interstellar grain surfaces Astronomy and Astrophysics. 578. DOI: 10.1051/0004-6361/201526044 |
0.577 |
|
| 2015 |
Pauzat F, Marloie G, Markovits A, Ellinger Y. Global versus local adsorption selectivity International Journal of Astrobiology. DOI: 10.1017/S1473550415000087 |
0.734 |
|
| 2015 |
Willacy K, Alexander C, Ali-Dib M, Ceccarelli C, Charnley SB, Doronin M, Ellinger Y, Gast P, Gibb E, Milam SN, Mousis O, Pauzat F, Tornow C, Wirström ES, Zicler E. The Composition of the Protosolar Disk and the Formation Conditions for Comets Space Science Reviews. DOI: 10.1007/S11214-015-0167-6 |
0.577 |
|
| 2014 |
Marloie G, Pauzat F, Ellinger Y, Markovits A, Pilmé J. Homochirality in space – Selective enrichment of chiral molecules on chiral surfaces Bio Web of Conferences. 2: 04004. DOI: 10.1051/bioconf/20140204004 |
0.743 |
|
| 2014 |
Ellinger Y, Toulouze M, Pilmé J, Pauzat F. About the presence of arsenic in prebiotic species Bio Web of Conferences. 2: 04003. DOI: 10.1051/bioconf/20140204003 |
0.573 |
|
| 2013 |
Pauzat F, Ellinger Y, Mousis O, Ali Dib M, Ozgurel O. Gas-phase sequestration of noble gases in the protosolar nebula: Possible consequences on the outer solar system composition Astrophysical Journal. 777. DOI: 10.1088/0004-637X/777/1/29 |
0.57 |
|
| 2013 |
Pernet A, Pilmé J, Pauzat F, Ellinger Y, Sirotti F, Silly M, Parent P, Laffon C. Possible survival of simple amino acids to X-ray irradiation in ice: The case of glycine Astronomy and Astrophysics. 552. DOI: 10.1051/0004-6361/201220372 |
0.56 |
|
| 2012 |
Toulouze M, Pilmé J, Pauzat F, Ellinger Y. Arsenic in prebiotic species: a theoretical approach. Physical Chemistry Chemical Physics : Pccp. 14: 10515-22. PMID 22743834 DOI: 10.1039/C2Cp41042G |
0.643 |
|
| 2012 |
Bertin M, Michaut X, Lattelais M, Mokrane H, Pauzat F, Pilmé J, Minot C, Ellinger Y, Romanzin C, Jeseck P, Fillion JH, Chaabouni H, Congiu E, Dulieu F, Baouche S, et al. Differential adsorption of complex organic molecule isomers on interstellar ice surfaces Eas Publications Series. 58: 349-352. DOI: 10.1051/Eas/1258057 |
0.637 |
|
| 2011 |
Pauzat F, Lattelais M, Ellinger Y, Minot C. The interstellar carbonaceous aromatic matter as a trap for molecular hydrogen Monthly Notices of the Royal Astronomical Society. 412: 2729-2734. DOI: 10.1111/j.1365-2966.2010.18106.x |
0.601 |
|
| 2011 |
Lattelais M, Bertin M, Mokrane H, Romanzin C, Michaut X, Jeseck P, Fillion JH, Chaabouni H, Congiu E, Dulieu F, Baouche S, Lemaire JL, Pauzat F, Pilmé J, Minot C, ... Ellinger Y, et al. Differential adsorption of complex organic molecules isomers at interstellar ice surfaces Astronomy and Astrophysics. 532. DOI: 10.1051/0004-6361/201016184 |
0.637 |
|
| 2011 |
Lattelais M, Pauzat F, Pilmé J, Ellinger Y, Ceccarelli C. About the detectability of glycine in the interstellar medium Astronomy and Astrophysics. 532. DOI: 10.1051/0004-6361/201016039 |
0.559 |
|
| 2011 |
Lattelais M, Risset O, Pilme J, Pauzat F, Ellinger Y, Sirotti F, Silly M, Parent P, Laffon C. The survival of glycine in interstellar ices: A coupled investigation using NEXAFS experiments and theoretical calculations International Journal of Quantum Chemistry. 111: 1163-1171. DOI: 10.1002/Qua.22609 |
0.615 |
|
| 2010 |
Pauzat F, Pilmé J, Toulouse J, Ellinger Y. About the collapse of the 3.3 microm CH stretching band with ionization in polycyclic aromatic hydrocarbons: configuration interaction and quantum Monte Carlo studies of the CH fragment. The Journal of Chemical Physics. 133: 054301. PMID 20707526 DOI: 10.1063/1.3465552 |
0.652 |
|
| 2010 |
Marloie G, Lattelais M, Pauzat F, Pilmé J, Ellinger Y. Looking for homochirality in the inter-stellar medium. Interdisciplinary Sciences, Computational Life Sciences. 2: 48-56. PMID 20640796 DOI: 10.1007/s12539-010-0085-y |
0.778 |
|
| 2010 |
Pirim C, Krim L, Laffon C, Parent P, Pauzat F, Pilmé J, Ellinger Y. Preliminary study of the influence of environment conditions on the successive hydrogenations of CO. The Journal of Physical Chemistry. A. 114: 3320-8. PMID 20141108 DOI: 10.1021/Jp909600Q |
0.659 |
|
| 2010 |
Lattelais M, Pauzat F, Ellinger Y, Ceccarelli C. A new weapon for the interstellar complex organic molecule hunt: The minimum energy principle Astronomy and Astrophysics. 519. DOI: 10.1051/0004-6361/200913869 |
0.591 |
|
| 2010 |
PARISEL O, HANUS M, ELLINGER Y. ChemInform Abstract: Interstellar Silicon-Nitrogen Chemistry. Part 2. Spectral Signatures of the SiNH+ 2 Molecular Ion. Cheminform. 27: no-no. DOI: 10.1002/CHIN.199626304 |
0.609 |
|
| 2009 |
Pauzat F, Ellinger Y, Pilmé J, Mousis O. H3(+) as a trap for noble gases-3: multiple trapping of neon, argon, and krypton in X(n)H3(+) (n = 1-3). The Journal of Chemical Physics. 130: 174313. PMID 19425782 DOI: 10.1063/1.3126777 |
0.638 |
|
| 2009 |
Lattelais M, Pauzat F, Ellinger Y, Ceccarelli C. Interstellar complex organic molecules and the minimum energy principle Astrophysical Journal. 696: L133-L136. DOI: 10.1088/0004-637X/696/2/L133 |
0.592 |
|
| 2009 |
Mousis O, Marboeuf U, Lunine JI, Alibert Y, Fletcher LN, Orton GS, Pauzat F, Ellinger Y. Determination of the minimum masses of heavy elements in the envelopes of Jupiter and Saturn Astrophysical Journal. 696: 1348-1354. DOI: 10.1088/0004-637X/696/2/1348 |
0.601 |
|
| 2009 |
Mousis O, Lunine JI, Thomas C, Pasek M, Marbœuf U, Alibert Y, Ballenegger V, Cordier D, Ellinger Y, Pauzat F, Picaud S. Clathration of volatiles in the solar nebula and implications for the origin of Titan's atmosphere Astrophysical Journal. 691: 1780-1786. DOI: 10.1088/0004-637X/691/2/1780 |
0.605 |
|
| 2008 |
Lattelais M, Pauzat F, Pilmé J, Ellinger Y. Electronic structure of simple phosphorus containing molecules [C,xH,O,P] candidate for astrobiology (x=1, 3, 5). Physical Chemistry Chemical Physics : Pccp. 10: 2089-97. PMID 18688363 DOI: 10.1039/B714919K |
0.619 |
|
| 2008 |
Mousis O, Pauzat F, Ellinger Y, Ceccarelli C. Sequestration of noble gases by H3 + in protoplanetary disks and outer solar system composition Astrophysical Journal. 673: 637-646. DOI: 10.1086/523925 |
0.581 |
|
| 2007 |
Pauzat F, Ellinger Y. H(3) (+) as a trap for noble gases--2: structure and energetics of XH(3) (+) complexes from X=neon to xenon. The Journal of Chemical Physics. 127: 014308. PMID 17627347 DOI: 10.1063/1.2746033 |
0.637 |
|
| 2007 |
Ellinger Y, Pauzat F. Quantum astrochemistry: Numerical simulation as an alternative to experiments Advances in Astrobiology and Biogeophysics. 429-489. DOI: 10.1007/978-3-540-33693-8_14 |
0.559 |
|
| 2006 |
Redondo P, Pauzat F, Ellinger Y. Theoretical survey of the NH+CH 3 potential energy surface in relation to Titan atmospheric chemistry Planetary and Space Science. 54: 181-187. DOI: 10.1016/j.pss.2005.10.008 |
0.609 |
|
| 2005 |
Pauzat F, Ellinger Y. H3 + as a trap for noble gases: 1 - The case of Argon Planetary and Space Science. 53: 1389-1399. DOI: 10.1016/j.pss.2005.07.005 |
0.587 |
|
| 2003 |
Cheikh F, Pauzat F, Ellinger Y. A theoretical study of protonated OCnOH+ ions, n = 3-8 Chemical Physics. 290: 147-162. DOI: 10.1016/S0301-0104(03)00091-0 |
0.664 |
|
| 2002 |
Sidorenkova H, Chentit M, Choua S, Geoffroy M, Ellinger Y. Characterization of transient radicals in the reduction product of the -P=C=C=P- system: EPR and theoretical studies Physical Chemistry Chemical Physics. 4: 4931-4936. DOI: 10.1039/B205848K |
0.34 |
|
| 2002 |
Tran F, Weber J, Weso?owski TA, Cheikh F, Ellinger Y, Pauzat F. Physisorption of molecular hydrogen on polycyclic aromatic hydrocarbons: A theoretical study Journal of Physical Chemistry B. 106: 8689-8696. DOI: 10.1021/Jp015590H |
0.715 |
|
| 2002 |
Pauzat F, Ellinger Y. The infrared signatures of non-regular PAHs Chemical Physics. 280: 267-282. DOI: 10.1016/S0301-0104(02)00511-6 |
0.576 |
|
| 2001 |
Dimur C, Pauzat F, Ellinger Y, Berthier G. Looking for the PC bond in space: HPCO and HPCS as possible tracers. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 57: 859-73. PMID 11345259 DOI: 10.1016/S1386-1425(00)00449-2 |
0.75 |
|
| 2001 |
Pauzat F, Ellinger Y. The 3.2-3.5 μm region revisited - II. A theoretical study of the effects of hydrogenation on some model PAHs Monthly Notices of the Royal Astronomical Society. 324: 355-366. DOI: 10.1046/J.1365-8711.2001.04277.X |
0.663 |
|
| 2001 |
Chentit M, Sidorenkova H, Choua S, Geoffroy M, Ellinger Y, Bernardinelli G. EPR and theoretical studies of the reduction product of the fulvenephosphaallene system Journal of Organometallic Chemistry. 634: 136-144. DOI: 10.1016/S0022-328X(01)01098-1 |
0.326 |
|
| 2000 |
Boulet P, Gilardoni F, Weber J, Chermette H, Ellinger Y. Reply to Comment on "theoretical study of interstellar hydroxylamine chemistry: Protonation and proton transfer mediated by H + 3 " [Chem. Phys. 253 (2000) 389-390] Chemical Physics Letters. 253: 391-392. DOI: 10.1016/S0301-0104(00)00003-3 |
0.405 |
|
| 1999 |
Pauzat F, Talbi D, Ellinger Y. The 3.2-3.5 μm region revisited - I. A theoretical study of the effects of aliphatic substitution on some model PAHs Monthly Notices of the Royal Astronomical Society. 304: 241-253. DOI: 10.1046/J.1365-8711.1999.02240.X |
0.61 |
|
| 1999 |
Boulet P, Gilardoni F, Weber J, Chermette H, Ellinger Y. Theoretical study of interstellar hydroxylamine chemistry: protonation and proton transfer mediated by H3+ Chemical Physics. 244: 163-174. DOI: 10.1016/S0301-0104(99)00151-2 |
0.4 |
|
| 1999 |
Couronne O, Ellinger Y. An ab initio and DFT study of (N2)2 dimers Chemical Physics Letters. 306: 71-77. DOI: 10.1016/S0009-2614(99)00431-5 |
0.763 |
|
| 1999 |
Couronne O, Ellinger Y. An ab initio and DFT study of (N 2 ) 2 dimers Chemical Physics Letters. 306: 71-77. |
0.731 |
|
| 1998 |
Weso?owski TA, Ellinger Y, Weber J. Density functional theory with an approximate kinetic energy functional applied to study structure and stability of weak van der Waals complexes Journal of Chemical Physics. 108: 6078-6083. DOI: 10.1063/1.476018 |
0.495 |
|
| 1998 |
Sidorenkova H, Chentit M, Jouaiti A, Terron G, Geoffroy M, Ellinger Y. The diphosphaallene radical anion: EPR and theoretical investigations Journal of the Chemical Society. Perkin Transactions 2. 71-74. DOI: 10.1039/A705392D |
0.363 |
|
| 1998 |
Chentit M, Sidorenkova H, Geoffroy M, Ellinger Y. Reduction of monophosphaallenes: An EPR study and ab initio investigations of (HPCCH2)-· and (HPCHCH2)· radicals Journal of Physical Chemistry A. 102: 10469-10475. DOI: 10.1021/Jp982519B |
0.357 |
|
| 1998 |
Ellinger Y, Pauzat F, Lengsfield BH. Modelling the signatures of interstellar polycyclic aromatic hydrocarbons with quantum chemistry Journal of Molecular Structure: Theochem. 458: 203-215. DOI: 10.1016/S0166-1280(98)00362-5 |
0.57 |
|
| 1998 |
Talbi D, Ellinger Y. Potential energy surfaces for the electronic dissociative recombination of HCNH+: Astrophysical implications on the HCN/HNC abundance ratio Chemical Physics Letters. 288: 155-164. DOI: 10.1016/S0009-2614(98)00213-9 |
0.357 |
|
| 1997 |
Chentit M, Sidorenkova H, Jouaiti A, Terron G, Geoffroy M, Ellinger Y. The structure of diphosphaallenic radical cations as evidenced by EPR experiments and ab initio calculations Journal of the Chemical Society. Perkin Transactions 2. 921-925. DOI: 10.1039/A607742K |
0.331 |
|
| 1997 |
Wesolowski TA, Parisel O, Ellinger Y, Weber J. 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 Journal of Physical Chemistry A. 101: 7818-7825. DOI: 10.1021/Jp970586K |
0.703 |
|
| 1997 |
Parisel O, Hanus M, Ellinger Y. Interstellar silicon-nitrogen chemistry. 4. Which reaction paths to HSiN and HNSi? An extensive ab initio investigation with crucial consequences for molecular astrophysics Journal of Physical Chemistry A. 101: 299-309. DOI: 10.1021/Jp9618441 |
0.672 |
|
| 1997 |
Pauzat F, Talbi D, Ellinger Y. The PAH hypothesis: A computational experiment on the combined effects of ionization and dehydrogenation on the IR signatures Astronomy and Astrophysics. 319: 318-330. |
0.586 |
|
| 1996 |
Parisel O, Hanus M, Ellinger Y. Interstellar silicon-nitrogen chemistry. III. the spectral signatures of the H2SiN+ molecular ion Journal of Chemical Physics. 104: 1979-1988. DOI: 10.1063/1.470953 |
0.675 |
|
| 1996 |
Talbi D, Ellinger Y. Isomerization versus hydrogen exchange reaction in the HNC ⇌ HCN conversion Chemical Physics Letters. 263: 385-392. DOI: 10.1016/S0009-2614(96)01253-5 |
0.301 |
|
| 1996 |
Parisel O, Ellinger Y. 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. 205: 323-349. DOI: 10.1016/0301-0104(95)00430-0 |
0.607 |
|
| 1996 |
Parisel O, Ellinger Y, Giessner-Prettre C. The electroaffinity of O2 by DFT and coupled MCSCF/perturbation approaches. A computational experiment Chemical Physics Letters. 250: 178-186. DOI: 10.1016/0009-2614(96)00016-4 |
0.658 |
|
| 1996 |
Parisel O, Hanus M, Ellinger Y. Interstellar silicon-nitrogen chemistry. I. The microwave and the infrared signatures of the HSiN, HNSi, HSiNH2, HNSiH2 and HSiNH+ species Chemical Physics. 212: 331-351. |
0.601 |
|
| 1996 |
Parisel O, Hanus M, Ellinger Y. Interstellar silicon-nitrogen chemistry. 2. Spectral signatures of the SiNH2 + molecular ion Journal of Physical Chemistry. 100: 2926-2933. |
0.604 |
|
| 1995 |
Ricca A, Weber J, Hanus M, Ellinger Y. The shape of the ground and lowest two excited states of H2NO The Journal of Chemical Physics. 103: 274-280. DOI: 10.1063/1.469640 |
0.487 |
|
| 1995 |
Ricca A, Weber J, Hanus M, Ellinger Y. The shape of the ground and lowest two excited states of H2NO The Journal of Chemical Physics. 103: 274-280. DOI: 10.1063/1.469640 |
0.344 |
|
| 1995 |
Cassam-Chenaï P, Pauzat F, Ellinger Y. Electronic and vibronic dipole moments of CH2D+ Journal of Molecular Structure: Theochem. 330: 167-175. DOI: 10.1016/0166-1280(94)03834-8 |
0.579 |
|
| 1995 |
Ricca A, Hanus M, Ellinger Y. Conformational dependence of electronic spectra in the nitroxide series: a MCSCF/CI study Chemical Physics Letters. 232: 54-60. DOI: 10.1016/0009-2614(94)01317-O |
0.327 |
|
| 1994 |
Vala M, Szczepanski J, Pauzat F, Parisel O, Talbi D, Ellinger Y. Electronic and vibrational spectra of matrix-isolated pyrene radical cations: Theoretical and experimental aspects Journal of Physical Chemistry. 98: 9187-9196. DOI: 10.1021/J100088A017 |
0.758 |
|
| 1994 |
Parisel O, Ellinger Y. Second-order perturbation theory using correlated orbitals. I. Full-valence reference functions Chemical Physics. 189: 1-16. DOI: 10.1016/0301-0104(94)80002-2 |
0.638 |
|
| 1993 |
De Frees DJ, Miller MD, Talbi D, Pauzat F, Ellinger Y. Theoretical infrared spectra of some model polycyclic aromatic hydrocarbons: effect of ionization. The Astrophysical Journal. 408: 530-8. PMID 11539450 |
0.656 |
|
| 1993 |
Cassam-Chenaï P, Ellinger Y, Berthier G. Induced mapping in the n-electron space and a transformation of valence-bond structures to molecular-orbital functions. Physical Review. A. 48: 2746-2751. PMID 9909923 DOI: 10.1103/PhysRevA.48.2746 |
0.494 |
|
| 1993 |
Szczepanski J, Vala M, Talbi D, Parisel O, Ellinger Y. Electronic and vibrational spectra of matrix isolated anthracene radical cations: Experimental and theoretical aspects The Journal of Chemical Physics. 98: 4494-4511. DOI: 10.1063/1.465009 |
0.666 |
|
| 1993 |
Szczepanski J, Vala M, Talbi D, Parisel O, Ellinger Y. Electronic and vibrational spectra of matrix isolated anthracene radical cations: Experimental and theoretical aspects The Journal of Chemical Physics. 98: 4494-4511. DOI: 10.1063/1.465009 |
0.629 |
|
| 1993 |
Barrientos C, Largo A, Redondo P, Pauzat F, Ellinger Y. Theoretical study of a basic process in interstellar chlorine chemistry: reaction of carbon(1+) with hydrogen chloride The Journal of Physical Chemistry. 97: 173-176. DOI: 10.1021/j100103a029 |
0.59 |
|
| 1993 |
Pauzat F, Ellinger Y, Berthier G, Gérin M, Viala Y. Theoretical study of a basic process in interstellar nitrogen chemistry: reaction of N with OH Chemical Physics. 174: 71-79. DOI: 10.1016/0301-0104(93)80052-B |
0.687 |
|
| 1993 |
Fluekiger P, Weber J, Chiarelli R, Rassat A, Ellinger Y. Chirality and spin density: Ab initio and density functional approaches International Journal of Quantum Chemistry. 45: 649-663. DOI: 10.1002/Qua.560450614 |
0.6 |
|
| 1993 |
Barrientos C, Largo A, Redondo P, Pauzat F, Ellinger Y. Theoretical study of a basic process in interstellar chlorine chemistry: Reaction of C+ with HCl Journal of Physical Chemistry. 97: 173-176. |
0.589 |
|
| 1992 |
Pauzat F, Talbi D, Miller MD, DeFrees DJ, Ellinger Y. Theoretical IR spectra of ionized naphthalene. The Journal of Physical Chemistry. 96: 7882-6. PMID 11538051 DOI: 10.1021/J100199A011 |
0.666 |
|
| 1992 |
Ricca A, Tronchet JMJ, Weber J, Ellinger Y. Conformational dependence of .beta. hyperfine coupling constants in the nitroxide series The Journal of Physical Chemistry. 96: 10779-10784. DOI: 10.1021/J100205A035 |
0.485 |
|
| 1992 |
Geoffroy M, Jouaiti A, Terron G, Cattani-Lorente M, Ellinger Y. Phosphaalkene radical anions: Electrochemical generation, ab initio predictions, and ESR study Journal of Physical Chemistry. 96: 8241-8245. DOI: 10.1021/J100200A008 |
0.354 |
|
| 1991 |
Pauzat F, Ellinger Y, McLean AD. Is interstellar detection of higher members of the linear radicals CnCH and CnN feasible? The Astrophysical Journal. 369: L13-6. PMID 11538264 |
0.626 |
|
| 1991 |
Raynaud M, Riga J, Reynaud C, Ellinger Y. Core level photoemission and theoretical studies of cyano organic compounds Journal of Electron Spectroscopy and Related Phenomena. 53: 251-263. DOI: 10.1016/0368-2048(91)85043-S |
0.342 |
|
| 1990 |
Raynaud M, Reynaud C, Ellinger Y, Hennico G, Delhalle J. High electric field effects on the acrylonitrile molecule: An ab initio study Chemical Physics. 142: 191-201. DOI: 10.1016/0301-0104(90)89080-A |
0.312 |
|
| 1989 |
Talbi D, Hickman AP, Pauzat F, Ellinger Y, Berthier G. A tentative interpretation for the difference in the abundance ratios HCO(+)/CO and HCS(+)/CS in interstellar space The Astrophysical Journal. 339: 231. DOI: 10.1086/167290 |
0.578 |
|
| 1988 |
Talbi D, Pauzat F, Ellinger Y. Potential energy surfaces for dissociative recombination reactions of HCO+ and HCS+ Chemical Physics. 126: 291-300. DOI: 10.1016/0301-0104(88)85039-0 |
0.591 |
|
| 1988 |
Hennico G, Delhalle J, Raynaud M, Reynaud C, Ellinger Y. An ab initio study of the electric field influence on the electron distribution of HCN, CH3CN, CH2CHCN, and CH2C(CN)2 Chemical Physics Letters. 152: 207-214. DOI: 10.1016/0009-2614(88)87356-1 |
0.316 |
|
| 1986 |
Pauzat F, Chekir S, Ellinger Y. An ab initio SCF-CI study of anharmonic vibrational effects in the HCO-HOC radical pair The Journal of Chemical Physics. 85: 2861-2867. |
0.618 |
|
| 1984 |
Pauzat F, Ellinger Y. The structure of linear SiCC: An ab initio SCF CI study including vibrational effects Chemical Physics Letters. 112: 519-523. DOI: 10.1016/0009-2614(84)85769-3 |
0.604 |
|
| 1984 |
Arnaud R, Ellinger Y, Subra R, Douady J. Ab initio mechanistic study of radical reactions: The regioselectivity of the addition of atomic hydrogen to fluoroacetylene and 1,1-difluoroethylene Journal of Molecular Structure: Theochem. 110: 203-218. DOI: 10.1002/Chin.198512126 |
0.309 |
|
| 1984 |
Pauzat F, Gritli H, Ellinger Y, Subra R. Ab initio SCF + CI study of the vibrational effects in the electron spin resonance spectrum of the simplest nitroxide radical: H2NO Journal of Physical Chemistry. 88: 4581-4583. DOI: 10.1002/Chin.198452010 |
0.648 |
|
| 1983 |
Komornicki A, Pauzat F, Ellinger Y. Ab initio prediction of structures, force constants, and vibrational frequencies. The saturated three-membered rings cyclopropane, ethylene oxide, and ethylene imine Journal of Physical Chemistry. 87: 3847-3857. DOI: 10.1021/J100243A014 |
0.629 |
|
| 1983 |
Barone V, Lelj F, Russo N, Ellinger Y, Subra R. Theoretical approach to fluorine substitution in X2NO and X2CN free radicals. Comparison between ab initio UHF and RHF + perturbation treatments Chemical Physics. 76: 385-396. DOI: 10.1016/0301-0104(83)85220-3 |
0.308 |
|
| 1979 |
Barone V, Douady J, Ellinger Y, Subra R, Pauzat F. Non-empirical calculations on the conformation and hyperfine structure of the silyl radical influence of vibrational effects Chemical Physics Letters. 65: 542-548. DOI: 10.1016/0009-2614(79)80288-2 |
0.669 |
|
| 1979 |
Ellinger Y, Pauzat F, Barone V, Douady J, Subra R. Ab initio study of the vibrational dependence of hyperfine coupling constants in the methyl, silyl, and formaldehyde anion radicals The Journal of Chemical Physics. 72: 6390-6397. DOI: 10.1002/Chin.198040061 |
0.646 |
|
| 1978 |
Ellinger Y, Subra R, Berthier G. Theoretical analysis of long-range hyperfine interactions in bicyclic free radicals. Application conditions for the W and anti-W rules Journal of the American Chemical Society. 100: 4961-4963. DOI: 10.1021/Ja00484A006 |
0.538 |
|
| 1975 |
Ellinger Y, Rassat A, Subra R, Berthier G. Ab initio study of the electronic structure and hyperfine coupling in simple hydrocarbon radicals. I. Test of the calculation method on methyl and vinyl The Journal of Chemical Physics. 62: 1-9. DOI: 10.1063/1.430262 |
0.689 |
|
| 1975 |
Ellinger Y, Subra R, Levy B, Millie P, Berthier G. Ab initio study of the electronic structure and hyperfine coupling properties in simple hydrocarbon radicals. II. Short-range and long-range interactions in alkyl free radicals The Journal of Chemical Physics. 62: 10-29. DOI: 10.1063/1.430252 |
0.575 |
|
| 1975 |
Ellinger Y, Subra R, Rassat A, Douady J, Berthier G. Nonempirical calculations on the conformation and hyperfine structure of the nitroxide and ketyl groups. Consequences of out-of-plane bending on hyperfine interactions Journal of the American Chemical Society. 97: 476-479. DOI: 10.1021/Ja00836A002 |
0.639 |
|
| 1975 |
Ellinger Y, Subra R, Berthier G, Tomasi J. Theoretical treatment of electrophilic reactivity in nitroxides and ketyl radicals through ab-initio molecular electrostatic potentials Journal of Physical Chemistry. 79: 2440-2443. DOI: 10.1021/J100589A020 |
0.572 |
|
| 1975 |
Ellinger Y, Subra R, Levy B, Millie P, Berthier G. Ab Initio Study Of The Electronic Structure And Hyperfine Coupling Properties In Simple Hydrocarbon Radicals Part 2, Short-Range And Long-Range Interactions In Alkyl Free Radicals Cheminform. 6. DOI: 10.1002/Chin.197516091 |
0.314 |
|
| 1975 |
Ellinger Y, Rassat A, Subra R, Berthier G. Ab Initio Study Of The Electronic Structure And Hyperfine Coupling In Simple Hydrocarbon Radicals Part 1, Test Of The Calculation Method On Methyl And Vinyl Cheminform. 6. DOI: 10.1002/Chin.197516090 |
0.307 |
|
| 1973 |
Ellinger Y, Rassat A, Subra R, Berthier G. Theoretical analysis of long-range hyperfine interactions in aliphatic free radicals. Origin of the W and anti-W rules [10] Journal of the American Chemical Society. 95: 2372-2373. DOI: 10.1021/Ja00788A050 |
0.646 |
|
| 1973 |
ELLINGER Y, RASSAT A, SUBRA R, BERTHIER G. ChemInform Abstract: THEORETISCHE ANALYSE DER ′LONG-RANGE′-HYPERFEINWECHSELWIRKUNGEN BEI ALIPHATISCHEN FREIEN RADIKALEN, URSPRUNG DER W- UND ANTI-W-REGELN Chemischer Informationsdienst. 4: no-no. DOI: 10.1002/Chin.197324065 |
0.506 |
|
| 1971 |
Ellinger Y, Rassat A, Subra R, Berthier G, Millie P. Interplay of direct and indirect coupling contributions in proton hyperfine splitting constants of alkyl radicals Chemical Physics Letters. 11: 362-364. DOI: 10.1016/0009-2614(71)80508-0 |
0.669 |
|
| 1969 |
Douady J, Ellinger Y, Rassat A, Subra R, Berthier G. Nitroxydes XXXII: Analyse théorique des effets de conformation sur la structure hyperfine des spectres R.P.E Molecular Physics. 17: 217-237. DOI: 10.1080/00268976900100981 |
0.592 |
|
| 1968 |
Ellinger Y, Rassat A, Subra R, Berthier G. Structure électronique et spectres de resonance paramagnétique électronique des radicaux vinyle et cyclopropyle Theoretica Chimica Acta. 10: 289-300. DOI: 10.1007/Bf00526492 |
0.624 |
|
| Show low-probability matches. |