Y. Jean

发表

Molecular Orbitals of Transition Metal Complexes

Y. Jean, 2005 .

Ligand dependent nature of three possible shapes for a d6 pentacoordinated complex

Y. Jean, O. Eisenstein, 1988 .

Lone pairs in organic molecules: Energetic and orientational non-equivalence : Stereochemical consequences

L. Salem, Y. Jean, O. Eisenstein, 1974 .

Structural preferences of quadruply bonded bimetallic complexes. A DFT study of the chelated (α) and bridged (β) isomers in Mo2Cl4(H2P(CH2)nPH2)2 (n=1, 2)

I. Demachy, Y. Jean, A. Lledós, 2000 .

From chelating to bridging diphosphine ligands in quadruply-bonded bimetallic complexes: a non-dissociative phosphine exchange mechanism

I. Demachy, Y. Jean, A. Lledós, 2002 .

A dissociative mechanism for phosphine exchange in quadruply bonded bimetallic complexes

I. Demachy, Y. Jean, A. Lledós, 2004 .

Structural flexibility of formally d10[M(biphosphinine)2]q complexes

I. Demachy, Audrey Moores, Y. Jean, 2004 .

A DFT study of the magnetic properties and the iron–iron interaction in the Cp2Fe2(μ–η1–S2,μ–η2–S2) and Cp2Fe2(μ–(η2,η1)–S2)2 isomers of the Cp2Fe2S4 complex

I. Demachy, Y. Jean, A. Lledós, 2003 .

Ab initio Study of the Coordination Modes of the Tetrahydroborato Ligand: Structure of the [Cu(BH4)(PH3)n] (n = 1, 2, 3) Complexes

A. Jarid, Y. Jean, A. Lledós, 1995 .

Structure and internal rotation in quadruply bonded α-Mo2Cl4(P–P)2 complexes: a density functional theory study of the cis-Mo2Cl4(PH3)4 complex

I. Demachy, Y. Jean, A. Lledós, 1999 .

A density functional study of the internal rotation in the quadruply bonded Mo2Cl4(PH3)4 complex

Y. Jean, A. Lledós, 1998 .

Pd(II) and Ni(II) complexes featuring a "phosphasalen" ligand: synthesis and DFT study.

Thi-Phuong-Anh Cao, Y. Jean, X. L. Le Goff, 2011, Dalton transactions.

DFT study of the structural and redox properties of [Cp2Fe2S4]q complexes (q = 0, +2, +1 and −2)

I. Demachy, Y. Jean, A. Lledós, 2001 .

Theoretical study of the structures of electron-deficient d6 ML5 complexes. Importance of a .pi.-donating ligand

Y. Jean, M. Pélissier, O. Eisenstein, 1992 .

A theoretical study of the possible structures of d6 ML5 complexes

Y. Jean, O. Eisenstein, I. Rachidi, 1990 .

Selection rules for classical reactive trajectories: Dynamical allowedness and forbiddenness

L. Salem, Y. Jean, X. Chapuisat, 1976 .

An Introduction to Molecular Orbitals

J. Burdett, Y. Jean, F. Volatron, 1993 .

Theoretical receptor chemistry: Complexation of CO2 and activation towards hydration by cationic binding sites

J. Lehn, Y. Jean, 1979 .

Hydrolysis of unsubstituted and alkyl-substituted aziridinium cations: selectivity and reaction mechanism (SN1 vs. SN2)

Y. Jean, F. Volatron, A. Bouyacoub, 1996 .

Theoretical study of electrocyclic ring opening of oxirane

Y. Jean, N. Anh, F. Volatron, 1983 .

Ab initio study of the rotational energy barrier in carbonylylide

Y. Jean, F. Volatron, 1981 .

Ab initio study of the hydration complexes of HCO−3

Y. Jean, F. Volatron, 1980 .

Theoretical study of the ammonia trimer

Y. Jean, 1980 .

Theoretical Study of Some Simple Organic Reactions

Y. Jean, 1979 .

Toward a qualitative understanding of the initial electron transfer site in Dawson-type heteropolyanions

B. Keita, B. Lévy, Y. Jean, 2002 .

Theoretical models for activation of CO2 towards hydration (CO2 + H2O → H2CO3) by cationic binding sites

Y. Jean, F. Volatron, 1982 .

A bis(thiophosphinoyl)methanediide palladium complex: coordinated dianion or nucleophilic carbene complex?

T. Cantat, Y. Jean, P. le Floch, 2004, Angewandte Chemie.

Two- and Four-Electron Alkyne Ligands in Osmium−Cyclopentadienyl Chemistry: Consequences of the π⊥→M Interaction

Y. Jean, A. Lledós, Miguel A. Esteruelas, 2002 .

Addition of H~2 on (Sulfur, Phosphorus, Sulfur)-Pincer-Based Rhodium(I), Iridium(I), Palladium(II), and Platinum(II) Complexes: Reactivity and Regioselectivity

Y. Jean, M. Doux, P. Floch, 2006 .

A bis(thiophosphinoyl)methylene ruthenium carbene complex : Synthesis, X-ray crystal structure, and DFT calculations of its thermally promoted reverse α-hydride migration process

T. Cantat, Y. Jean, P. Floch, 2005 .

Synthesis, X-ray, and electronic structures of a new nickel dibromide complex. Activity in the regioselective catalyzed dimerization of ethylene into 1-butene.

Y. Jean, P. le Floch, L. Ricard, 2007, Inorganic chemistry.

DFT study on the palladium-catalyzed allylation of primary amines by allylic alcohol.

Y. Jean, P. le Floch, O. Piechaczyk, 2006, Journal of the American Chemical Society.

Cationic dimetallic gold hydride complex stabilized by a xantphos-phosphole ligand: synthesis, X-ray crystal structure, and density functional theory study.

Y. Jean, X. L. Le Goff, P. le Floch, 2009, Inorganic chemistry.

Theoretical chemical dynamics: A tool in organic chemistry

Y. Jean, X. Chapuisat, Xavier Chapuisat, 1976 .

2,2'-Biphosphinines and 2,2'-bipyridines in homoleptic dianionic Group 4 complexes and neutral 2,2'-biphosphinine Group 6 d(6) metal complexes: octahedral versus trigonal-prismatic geometries.

I. Demachy, T. Cantat, Y. Jean, 2007, Chemistry.

Factors favoring an M...H-C interaction in metal-methyl complexes. An MO analysis

Y. Jean, O. Eisenstein, 1985 .

Theoretical study of the conformations of cis carbene-acetylene transition metal complexes

B. Maouche, Y. Jean, O. Eisenstein, 1988 .

Formation and Stereochemistry of Octahedral Cationic Hydride‐Azavinylidene Osmium(IV) Complexes

Y. Jean, A. Lledós, Miguel A. Esteruelas, 2001 .

Synthesis, characterization, and theoretical study of stable hydride-azavinylidene osmium(IV) complexes

E. Gutiérrez‐Puebla, Y. Jean, A. Lledós, 2000 .

Bond-Stretch Isomerism in Transition-Metal Complexes

R. Hoffmann, J. Burdett, Y. Jean, 1988 .

Dianionic Iron and Ruthenium(2−) Biphosphinine Complexes: A Formal d10 Ruthenium Complex with a Square Planar Geometry

P. Rosa, Y. Jean, P. Floch, 2001 .

Dynamical study of mechanistic details in organic reactions. I. Two-step study of isomerizations of cyclopropane-type molecules

Y. Jean, X. Chapuisat, 1974 .

Ab initio study of the (SO2)(SO2− dimer: structures involving a two-electron SO bond

Y. Jean, F. Volatron, Nathalie Berthe-Gaujac, 1995 .

The CO/PC analogy in coordination chemistry and catalysis

Audrey Moores, Y. Jean, M. Doux, 2005 .

Electronic mechanisms associated with bond-stretch isomerism in transition metal complexes

R. Hoffmann, J. Burdett, Y. Jean, 1988 .

Diamagnetic versus Paramagnetic Structure of SPS‐Type Pincer‐Based CoI, RhI, and IrI Complexes

Y. Jean, M. Doux, P. Floch, 2006 .

Phosphines exchange in quadruply bonded metal dimers: theoretical proposal for an alternative to the internal flip mechanism

Y. Jean, A. Lledós, 1998 .

Cis,trans,cis or All-cis Geometry in d0 Octahedral Dioxo Complexes. An IMOMM Study of the Role of Steric Effects

Y. Jean, A. Lledós, F. Maseras, 1998 .

Hydride Exchange Processes in the Coordination Sphere of Transition Metal Complexes: The OsH3(BH4)(PR3)2 System

I. Demachy, Y. Jean, A. Lledós, 1996 .

PREPARATION AND SPECTROSCOPIC AND THEORETICAL CHARACTERIZATION OF THE TETRAHYDROBORATE COMPLEX OSH3(ETA 2-H2BH2)(P-I-PR3)2

N. Ruiz, Y. Jean, A. Lledós, 1994 .

Ab initio study of the electronic structure of the (SO2)(SO−2) dimer. A one-electron SS bond formation?

I. Demachy, Y. Jean, F. Volatron, 1994 .

Mechanism of the dehydrogenative silylation of alcohols catalyzed by cationic gold complexes: an experimental and theoretical study.

Y. Jean, P. le Floch, N. Mézailles, 2011, Chemistry.

Recent Theoretical Developments in the Dynamical Study of Mechanistic Details in Organic Reactions

Y. Jean, X. Chapuisat, Xavier Chapuisat, 1979 .

DYNAMICAL STUDY OF MECHANISTIC DETAILS IN ORGANIC REACTIONS PART 1, A TWO-STEP STUDY OF ISOMERIZATIONS OF CYCLOPROPANE-TYPE MOLECULES

Y. Jean, X. Chapuisat, 1975 .

DFT study of the fixation of CO by SPS-based pincer Rh(I) and Ir(I) complexes : Regioselectivity and reactivity

Y. Jean, M. Doux, P. Floch, 2005 .

Regioselectivity of the Addition of O2 on SPS-Based Rhodium(I) and Iridium(I) Complexes

Y. Jean, M. Doux, P. Floch, 2005 .

η2-Palladium and platinum(II) complexes of a λ4-phosphinine anion: Syntheses, X-ray crystal structures, and DFT calculations

Audrey Moores, Y. Jean, P. Floch, 2004 .

THE TRANSITION STATE FOR GEOMETRICAL ISOMERIZATION OF CYCLOPROPANE

L. Salem, Y. Jean, J. S. Wright, 1971 .

Electronic against steric effects in distorted amides

I. Demachy, Y. Jean, A. Lledós, 2003 .

Ab initio study of the coordination modes of tetrahydroborato ligands: structure of the tris(tetrahydroborato)titanium

A. Jarid, Y. Jean, A. Lledós, 1993 .

Ab initio study of the coordination modes of tetrahydroborato ligands: what is the actual structure of the tris(tetrahydroborato)bis(trimethylphosphine) titanium complex

M. Duran, Y. Jean, A. Lledós, 1993 .

Ab initio Study of the coordination modes of tetrahydroborato ligands: the high-spin complex bis(phosphine)tris(tetrahydroborato)vanadium

M. Duran, Y. Jean, A. Lledós, 1991 .

Interaction between d6 ML5 metal fragments and hydrogen: .eta.2-H2 vs. dihydride structure

Odile Eisenstein, B. Maouche, B. Maouche, 1986 .

p-Phenylenebis(methylene): a CASSCF study of σ2 p2, σ3p1 and σ4 electronic states

Y. Jean, 1998 .

Deviation from the ideal octahedral field vs. alkyl distortion in d0 metal-alkyl complexes: a MO study

Y. Jean, O. Eisenstein, A. Demolliens, 1986 .

The Kubas Complex Revisited. A Theoretical Study of Dihydrogen Addition and Structure of the Dihydride Form

Y. Jean, A. Lledós, Jaume Tomàs, 1998 .

Why [CpW(CO)3]+ reduces H2 to dihydride.

I. Demachy, Y. Jean, A. Lledós, 2003, Chemical communications.

A THEORETICAL INSIGHT INTO THE ABILITY OF GROUP 6 ML5 METAL FRAGMENTS TO BREAK THE H-H BOND

Y. Jean, A. Lledós, Jaume Tomàs, 1998 .

Theoretical Evaluation of Steric Effects in [ReH(5)(PR(3))(2)(SiR(3))(2)] Complexes with the IMOMM Method.

Y. Jean, A. Lledós, F. Maseras, 1996, Inorganic chemistry.

COUPLING OF METHYLENE AND DIHYDROGEN LIGANDS IN D6 OCTAHEDRAL COMPLEXES

A. Jarid, D. Lauvergnat, Y. Jean, 1997 .

Interaction of molecular hydrogen with d10-ML3 metal fragments: a MO analysis

Y. Jean, A. Lledós, F. Volatron, 1987 .

Can heteroatoms induce violations of orbital-symmetry control? Electrocyclic ring opening of oxirane

Y. Jean, N. Anh, F. Volatron, 1983 .

Trans or (Unusual) Cis Geometry in d(2) Octahedral Dioxo Complexes. A DFT Study.

I. Demachy, Y. Jean, 1996, Inorganic Chemistry.

A bis(thiophosphinoyl)methanediide palladium complex: coordinated dianion or nucleophilic carbene complex?

T. Cantat, Y. Jean, P. le Floch, 2004, Angewandte Chemie.

Mechanism of the dehydrogenative silylation of alcohols catalyzed by cationic gold complexes: an experimental and theoretical study.

Y. Jean, P. le Floch, N. Mézailles, 2011, Chemistry.

Dynamical study of mechanistic details in organic reactions. II. Overall study of isomerizations of cyclopropane

Y. Jean, Xavier Chapuisat, 1975 .