Odile Eisenstein
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French chemist
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Odile Eisensteinchemistry Degrees
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Chemistry
Odile Eisenstein's Degrees
- PhD Chemistry Université Paris Cité
- Bachelors Chemistry Université Paris Cité
Why Is Odile Eisenstein Influential?
(Suggest an Edit or Addition)According to Wikipedia, Odile Eisenstein ForMemRS is a theoretical chemist who specializes in modelling the structure and reactivity of transition metals and lanthanide complexes. She is currently the equivalent of an Emeritus Professor at the Institut Charles Gerhardt Montpellier, équipe CTMM at Montpellier 2 University and a professor at the Hylleraas Centre for Quantum Molecular Sciences at the University of Oslo. She has been a member of the French Academy of Sciences since 2013, as the first female elect. In 2018 she was awarded the «insignes d'officier dans l’ordre de la Légion d'honneur» at the Institut de France in Paris.
Odile Eisenstein's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- C-H bond activation in transition metal species from a computational perspective. (2010) (838)
- Highly active and robust Cp* iridium complexes for catalytic water oxidation. (2009) (486)
- A new intermolecular interaction: unconventional hydrogen bonds with element-hydride bonds as proton acceptor. (1996) (462)
- Half-sandwich iridium complexes for homogeneous water-oxidation catalysis. (2010) (452)
- C-F and C-H bond activation of fluorobenzenes and fluoropyridines at transition metal centers: how fluorine tips the scales. (2011) (364)
- Iridium-catalyzed hydrogenation of N-heterocyclic compounds under mild conditions by an outer-sphere pathway. (2011) (245)
- Transition metal polyhydrides: from qualitative ideas to reliable computational studies. (2000) (219)
- Do f Electrons Play a Role in the Lanthanide-Ligand Bonds? A DFT Study of Ln(NR2)3; R = H, SiH3 (2000) (218)
- Linear-selective hydroarylation of unactivated terminal and internal olefins with trifluoromethyl-substituted arenes. (2014) (201)
- Selectivity of C-H Activation and Competition between C-H and C-F Bond Activation at Fluorocarbons. (2017) (193)
- Transition-metal complexed olefins: how their reactivity toward a nucleophile relates to their electronic structure (1981) (192)
- Computed ligand electronic parameters from quantum chemistry and their relation to Tolman parameters, Lever parameters, and Hammett constants. (2001) (185)
- Interactions between CH and NH bonds and d8 square planar metal complexes: hydrogen bonded or agostic? (1997) (183)
- Imidazolium carboxylates as versatile and selective N-heterocyclic carbene transfer agents: synthesis, mechanism, and applications. (2007) (176)
- Understanding d(0)-olefin metathesis catalysts: which metal, which ligands? (2007) (172)
- Superjacent orbital control. Interpretation of the anomeric effect (1973) (153)
- Factors Affecting the Strength of N-H.cntdot..cntdot..cntdot.H-Ir Hydrogen Bonds (1995) (153)
- An attractive cis-effect of hydride on neighbor ligands: experimental and theoretical studies on the structure and intramolecular rearrangements of Fe(H)2(.eta.2-H2)(PEtPh2)3 (1990) (145)
- Computational structure-activity relationships in H2 storage: how placement of N atoms affects release temperatures in organic liquid storage materials. (2007) (133)
- Exceptional sensitivity of metal-aryl bond energies to ortho-fluorine substituents: influence of the metal, the coordination sphere, and the spectator ligands on M-C/H-C bond energy correlations. (2009) (132)
- An anion-dependent switch in selectivity results from a change of C-H activation mechanism in the reaction of an imidazolium salt with IrH5(PPh3)2. (2005) (127)
- Hydrogen for fluorine exchange in C6F6 and C6F5H by monomeric [1,3,4-(Me3C)3C5H2]2CeH: experimental and computational studies. (2005) (127)
- Dinitrogen Dissociation on an Isolated Surface Tantalum Atom (2007) (126)
- Mechanism of Homogeneous Iridium-Catalyzed Alkylation of Amines with Alcohols from a DFT Study (2008) (126)
- An Unconventional Intermolecular Three‐Center N–H …︁ H2Re Hydrogen Bond in Crystalline [ReH5(PPh3)3]·indole·C6H6 (1995) (123)
- Hydrofluoroarylation of Alkynes with Ni Catalysts. C–H Activation via Ligand-to-Ligand Hydrogen Transfer, an Alternative to Oxidative Addition (2012) (122)
- Theoretical study of the structures of electron-deficient d6 ML5 complexes. Importance of a .pi.-donating ligand (1992) (121)
- d0 Re-Based Olefin Metathesis Catalysts, Re(⋮CR)(CHR)(X)(Y): The Key Role of X and Y Ligands for Efficient Active Sites (2005) (120)
- Outer sphere hydrogenation catalysis (2013) (120)
- Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide (2013) (116)
- A well-defined, silica-supported tungsten imido alkylidene olefin metathesis catalyst (2006) (116)
- Hydrogen for Fluorine Exchange in C 6 F 6 and C 6 F 5 H by Monomeric [1,3,4-(Me 3 C) 3 C 5 H 2 ] 2 CeH: Experimental and Computational Studies (2005) (113)
- Agostic Interactions from a Computational Perspective: One Name, Many Interpretations (2004) (113)
- Energetics of C-H bond activation of fluorinated aromatic hydrocarbons using a [Tp'Rh(CNneopentyl)] complex. (2009) (101)
- Catecholborane Bound to Titanocene. Unusual Coordination of Ligand σ-Bonds (1996) (100)
- Shutting down secondary reaction pathways: the essential role of the pyrrolyl ligand in improving silica supported d(0)-ML4 alkene metathesis catalysts from DFT calculations. (2010) (98)
- Orbital factors and asymmetric induction (1973) (97)
- An Experimental−Theoretical Study of the Factors That Affect the Switch between Ruthenium-Catalyzed Dehydrogenative Amide Formation versus Amine Alkylation (2010) (96)
- Lone pairs in organic molecules: Energetic and orientational non-equivalence : Stereochemical consequences (1974) (96)
- Decamethylytterbocene complexes of bipyridines and diazabutadienes: multiconfigurational ground states and open-shell singlet formation. (2009) (88)
- A molecular orbital analysis of the regioselectivity of nucleophilic addition to .eta.3-allyl complexes and the conformation of the .eta.3-allyl ligand in L3(CO)2(.eta.3-C3H5)Mo(II) complexes (1984) (87)
- Dynamics of silica-supported catalysts determined by combining solid-state NMR spectroscopy and DFT calculations. (2008) (86)
- Manganese catalysts for C-H activation: an experimental/theoretical study identifies the stereoelectronic factor that controls the switch between hydroxylation and desaturation pathways. (2010) (85)
- PI -STABILIZED, YET REACTIVE, HALF-SANDWICH CP*RU(PR3)X COMPOUNDS : SYNTHESIS, STRUCTURE, AND BONDING (1995) (82)
- Preferential C-binding versus N-binding in imidazole depends on the metal fragment involved. (2002) (82)
- Single but Stronger UO, Double but Weaker UNMe Bonds: The Tale Told by Cp2UO and Cp2UNR (2007) (81)
- Carbon monoxide activation via O-bound CO using decamethylscandocinium-hydridoborate ion pairs. (2012) (77)
- A rational basis for the axial ligand effect in C-H oxidation by [MnO(porphyrin)(X)]+ (X = H2O, OH-, O2-) from a DFT study. (2008) (77)
- Wittig versus Corey-Chaykovsky Reaction. Theoretical study of the reactivity of phosphonium methylide and sulfonium methylide with formaldehyde (1987) (76)
- Cp* Iridium Precatalysts for Selective C–H Oxidation via Direct Oxygen Insertion: A Joint Experimental/Computational Study (2012) (76)
- Intermediate-valence tautomerism in decamethylytterbocene complexes of methyl-substituted bipyridines. (2010) (76)
- Biscarbene-ruthenium complexes in catalysis: novel stereoselective synthesis of (1E,3E)-1,4-disubstituted-1,3-dienes via head-to-head coupling of terminal alkynes and addition of carboxylic acids. (2003) (74)
- Computational and Experimental Test of Steric Influence on Agostic Interactions: A Homologous Series for Ir(III) (1999) (73)
- Defluorination of perfluoropropene using Cp*2ZrH2 and Cp2ZrHF: a mechanism investigation from a joint experimental-theoretical perspective. (2004) (73)
- Entropy Explained: The Origin of Some Simple Trends (2002) (72)
- Elucidating the Link between NMR Chemical Shifts and Electronic Structure in d(0) Olefin Metathesis Catalysts. (2016) (71)
- RuHX(CO)(PR3)2: Can .nu.CO Be a Probe for the Nature of the Ru-X Bond? (1994) (71)
- Beta-H transfer from the metallacyclobutane: a key step in the deactivation and byproduct formation for the well-defined silica-supported rhenium alkylidene alkene metathesis catalyst. (2008) (71)
- γ Agostic C–H or β agostic Si–C bonds in La{CH(SiMe3)2}3? A DFT study of the role of the ligand (2003) (70)
- Oxo vs Imido Alkylidene d0-Metal Species: How and Why Do They Differ in Structure, Activity, and Efficiency in Alkene Metathesis? (2012) (68)
- Factors favoring an M...H-C interaction in metal-methyl complexes. An MO analysis (1985) (67)
- Hydride Is Not a Spectator Ligand in the Formation of Hydrido Vinylidene from Terminal Alkyne and Ruthenium and Osmium Hydrides: Mechanistic Differences (1998) (67)
- Induction asymetrique 1–2: comparaison ab initio des modeles de cram, de cornforth, de karabatsos et de felkin. (1976) (67)
- Outer Sphere Anion Participation Can Modify the Mechanism for Conformer Interconversion in Pd Pincer Complexes (2003) (66)
- Activation of a coordinated olefin toward nucleophilic attack (1980) (66)
- Inertness of the Aryl−F Bond toward Oxidative Addition to Osmium and Rhodium Complexes: Thermodynamic or Kinetic Origin? (1998) (66)
- Molecular and Silica-Supported Molybdenum Alkyne Metathesis Catalysts: Influence of Electronics and Dynamics on Activity Revealed by Kinetics, Solid-State NMR, and Chemical Shift Analysis. (2017) (65)
- From three- to four-coordination in copper(I) and silver(I) (1992) (64)
- Metathesis Activity Encoded in the Metallacyclobutane Carbon-13 NMR Chemical Shift Tensors (2017) (64)
- Reaction of molecular hydrogen (H2) with chlorohydridoiridium phosphines IrHCl2P2 (P = PPr-iso3 or PBu-tert2Ph): stereoelectronic control of the stability of molecular H2 transition metal complexes (1993) (63)
- Reactions of monomeric [1,2,4-(Me3C)3C5H2]2CeH and CO with or without H2: an experimental and computational study. (2006) (63)
- Bond energy M-C/H-C correlations: dual theoretical and experimental approach to the sensitivity of M-C bond strength to substituents. (2003) (62)
- Some geometrical and electronic features of the intermediate stages of olefin metathesis (1981) (61)
- Neutron structure and inelastic-neutron-scattering and theoretical studies of molybdenum complex Mo(CO)(H2)[(C6D5)2PC2H4P(C6D5)2]2.cntdot.4.5C6D6, a complex with an extremely low barrier to hydrogen rotation. Implications on the reaction coordinate for H-H cleavage to dihydride (1993) (59)
- Structure, spectroscopic and electronic properties of a well defined silica supported olefin metathesis catalyst, [(SiO)Re(CR)(CHR)(CH2R)], through DFT periodic calculations: silica is just a large siloxy ligand (2006) (58)
- Mono-, di-, and Ttianionic beta-diketiminato ligands: a computational study and the synthesis and structure of [(YbL)(3)(THF)], L = [[N(SiMe(3))C(Ph)](2)CH]. (2003) (57)
- NEW TYPES OF HYDROGEN BONDS (1998) (57)
- Double geminal C-H activation and reversible alpha-elimination in 2-aminopyridine iridium(III) complexes: the role of hydrides and solvent in flattening the free energy surface. (2004) (56)
- Aromatic C–H σ-Bond Activation by Ni0, Pd0, and Pt0 Alkene Complexes: Concerted Oxidative Addition to Metal vs Ligand-to-Ligand H Transfer Mechanism (2017) (55)
- DFT studies of some structures and reactions of lanthanides complexes (2002) (55)
- DFT study of H--H activation by Cp(2) LnH d(0) complexes. (2001) (55)
- Validation of the M-C/H-C bond enthalpy relationship through application of density functional theory. (2006) (53)
- Counter-ion effects switch ligand binding from C-2 to C-5 in kinetic carbenes formed from an imidazolium salt and IrH5(PPh3)2 (2002) (53)
- Geometrically Distorted and Redox-Active Organometallic Iridium Complexes Containing Biphenyl-2,2'-diyl (1995) (52)
- DFT study of CH4 activation by d0 Cl2LnZ (Z = H, CH3) complexes (2002) (52)
- Computational Evidence of the Importance of Substituent Bulk on Agostic Interactions in Ir(H)2(PtBu2Ph)2 (1998) (51)
- The rebound mechanism in catalytic C-H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species. (2008) (51)
- The Bond Between CO and Cp?3U in Cp?3U(CO) involves Backbondingfrom the Cp'3U Ligand-based Orbitals of ?pi-Symmetry, where Cp' Represents a Substituted Cyclopentadienyl Ligand. (2009) (51)
- Carbon-13 NMR Chemical Shift: A Descriptor for Electronic Structure and Reactivity of Organometallic Compounds. (2019) (51)
- Generation and structural characterization of a gold(III) alkene complex. (2013) (50)
- An .eta.4-benzene species mediates acetylene cyclotrimerization (1991) (49)
- Interaction between d6 ML5 metal fragments and hydrogen: .eta.2-H2 vs. dihydride structure (1986) (49)
- The structure of d0 ML6 complexes (1989) (48)
- Cerium masquerading as a group 4 element: synthesis, structure and computational characterisation of [CeCl(N(SiMe3)2)3]. (2001) (48)
- A theoretical study of the possible structures of d6 ML5 complexes (1990) (48)
- Synthesis and properties of [(.eta.-C5H5)Re(NO)(PPh3)(:CHC6H5)]+PF6-: a benzylidene complex that is formed by a stereospecific .alpha.-hydride abstraction, exists as two geometric isomers, and undergoes stereospecific nucleophilic attack (1982) (48)
- Understanding structural and dynamic properties of well-defined rhenium-based olefin metathesis catalysts, Re(≡CR)(=CHR)(X)(Y), from DFT and QM/MM calculations (2005) (48)
- A DFT Study of SiH4 Activation by Cp2LnH (2002) (47)
- Heterolytic dihydrogen activation in an iridium complex with a pendant basic group (1999) (47)
- RuX(CO)(NO)L2 and Ru(CO)(NO)L2+: Ru(0) or Ru(II) or In Between? (1997) (46)
- Orbital Analysis of Carbon-13 Chemical Shift Tensors Reveals Patterns to Distinguish Fischer and Schrock Carbenes. (2017) (46)
- Reactivity of the molecular hydrogen complex [IrH4(PMe2Ph)3]BF4 towards olefins. The origin of stereochemical rigidity of M(PR3)3(olefin)2 species (1990) (46)
- DFT calculations of d0 M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr-C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties. (2006) (46)
- Theoretical Studies on the Metathesis Processes, [Tp(PH3)MR(η2‐H ? CH3)] → [Tp(PH3)M(CH3)(η2‐H ? R)] (M=Fe, Ru, and Os; R=H and CH3) (2003) (45)
- Coordinated carbenes from electron-rich olefins on RuHCl(PPr3i)2 (2000) (45)
- Importance of palladium-carbon bond energies in direct arylation of polyfluorinated benzenes. (2010) (45)
- Osmium Converts Terminal Olefins to Carbynes: α-Hydrogen Migration Redox Isomers with Reversed Stability for Ruthenium and for Osmium (1998) (44)
- New Access to Vinylidenes from Ruthenium Polyhydrides (1997) (43)
- Preparation, x-ray molecular structure, and electronic structure of the first 16-electron ruthenium dihydrogen complexes RuH(H2)X(PCy3)2 (1991) (43)
- R-Group reversal of isomer stability for RuH(X)L2(CCHR) s. Ru(X)L2(CCH2R): access to four-coordinate ruthenium carbenes and carbynes (2000) (43)
- Metallacyclobutanes from Schrock-Type d0 Metal Alkylidene Catalysts: Structural Preferences and Consequences in Alkene Metathesis (2015) (42)
- Are Strong Gold-Gold Interactions Possible in Main Group XnA(AuPR3)m Molecules? (1994) (41)
- A comprehensive view of M–H addition across the RCCH bond: frustration culminating in ultimate union (2001) (41)
- Ion pairing effects in intramolecular heterolytic H2 activation in an Ir(III) complex: a combined theoretical/experimental study (2003) (40)
- Mechanistic investigation of vinylic carbon-fluorine bond activation of perfluorinated cycloalkenes using Cp*2ZrH2 and Cp*2ZrHF (2010) (40)
- REACTIONS OF NEW OSMIUM-DIHYDRIDE COMPLEXES WITH TERMINAL ALKYNES : METALLACYCLOPROPENE VERSUS METAL-CARBYNE. INFLUENCE OF THE ALKYNE SUBSTITUENT (1999) (40)
- A 14-Electron Ruthenium(II) Hydride, [RuH(CO)(PtBu2Me)2]BAr‘4 (Ar‘ = 3,5-(C6H3)(CF3)2): Synthesis, Structure, and Reactivity toward Alkenes and Oxygen Ligands (2000) (39)
- The Grignard Reaction-Unraveling a Chemical Puzzle. (2020) (39)
- Theoretical analysis of bonding in monomeric and polymeric C5H5M compounds (1984) (39)
- Deviation from the ideal octahedral field vs. alkyl distortion in d0 metal-alkyl complexes: a MO study (1986) (38)
- The Mechanism of Acetylene Cyclotrimerization Catalyzed by the fac-IrP3+ Fragment: The Relationship between Fluxionality and Catalysis (1994) (38)
- Some structural and electronic properties of MX3 (M = Ln, Sc, Y, Ti+, Zr+, Hf+; X = H, Me, Hal, NH2) from DFT calculations. (2003) (38)
- The Key Role of the Hemiaminal Intermediate in the Iron-Catalyzed Deaminative Hydrogenation of Amides (2018) (38)
- How Solvent Dynamics Controls the Schlenk Equilibrium of Grignard Reagents: A Computational Study of CH3MgCl in Tetrahydrofuran. (2017) (37)
- Distinct structures for ruthenium and osmium hydrido halides: Os(H)3X(PiPr3)2 (X = Cl, Br, I) are nonoctahedral classical trihydrides with exchange coupling (1994) (37)
- Multiple structural variants of LnCuI(.mu.-X)2CuILn (n = 1, 2). Influence of halide on a "soft" potential energy surface (1992) (37)
- Cationic methyl complexes of the rare-earth metals: an experimental and computational study on synthesis, structure, and reactivity. (2008) (37)
- CHARACTERIZATION AND REACTIVITY OF AN UNPRECEDENTED UNSATURATED ZERO-VALENT RUTHENIUM SPECIES : ISOLABLE, YET HIGHLY REACTIVE (1996) (36)
- NMR chemical shift analysis decodes olefin oligo- and polymerization activity of d0 group 4 metal complexes (2018) (36)
- OSH5(PME2PH)3+ : STRUCTURE, REACTIVITY, AND ITS USE AS A CATALYST PRECURSOR FOR OLEFIN HYDROGENATION AND HYDROFORMYLATION (1994) (36)
- Mechanistic Studies of the Facile Four-Electron Reduction of Azobenzene at a Single Tungsten Metal Center (1996) (36)
- Equilibria between alpha- and beta-agostic stabilized rotamers of secondary alkyl niobium complexes. (2001) (36)
- C-H oxidation by hydroxo manganese(v) porphyrins: a DFT study. (2009) (36)
- On coupling carbenes and carbynes (1982) (35)
- Computational Studies Explain the Importance of Two Different Substituents on the Chelating Bis(amido) Ligand for Transfer Hydrogenation by Bifunctional Cp*Rh(III) Catalysts (2014) (35)
- Hypercoordinated HXn+1 radicals for first- and second-row atoms: a valence bond analysis (1989) (35)
- Modulation of reactivity and stereochemistry of substrate binding by the group X in RuHX(CO)(P-tert-Bu2Me)2 (1993) (35)
- TERT-BUTYL IS SUPERIOR TO PHENYL AS AN AGOSTIC DONOR TO 14-ELECTRON IR(III) (1997) (34)
- Structure and H(2)-Loss Energies of OsHX(H(2))(CO)L(2) Complexes (L = P(t-Bu)(2)Me, P(i-Pr)(3); X = Cl, I, H): Attempted Correlation of (1)J(H-D), T(1min), and DeltaG(). (1996) (34)
- Electronic origin of the thermochromic effect in 2,2',5,5'-tetramethylbistibole (1982) (33)
- Synthesis, structure, and reductive elimination in the series Tp'Rh(PR3)(Ar(F))H; determination of rhodium-carbon bond energies of fluoroaryl substituents. (2010) (33)
- cis–trans Isomerisation of CpRe(CO)2(H)(ArF)(ArF= C6FnH5−n; n= 0–5) is the rate determining step in C–H activation of fluoroarenes: a DFT study (2003) (33)
- Nucleophilic Addition to a Triple Bond; Preliminary ab initio study (1978) (32)
- Synthesis and structure of "16-electron" rhodium(III) catalysts fortransfer hydrogenation of a cyclic imine: mechanistic implications. (2009) (32)
- Vinyl C-F cleavage by Os(H)3Cl(P(i)Pr3)2. (2002) (32)
- CARBENE COMPLEXES FROM OLEFINS, USING RUHCL(PIPR3)2. INFLUENCE OF THE OLEFIN SUBSTITUENT (1998) (31)
- A comparative study of olefin or acetylene insertion into Ru–H or Os–H of MHCl(CO)(phosphine)2 (2001) (31)
- Interplay of Weak Interactions: An Iridium(III) System with an Agostic tert-Butyl but a Nonagostic Isopropyl Group (2002) (31)
- DFT studies of the methyl exchange reaction between Cp2M-CH3 or Cp*2M-CH3 (Cp = C5H5, Cp* = C5Me5, M = Y, Sc, Ln) and CH4. Does M ionic radius control the reaction? (2006) (30)
- An unusual example of hypervalent silicon: a five-coordinate silyl group bridging two palladium or nickel centers through a nonsymmetrical four-center two-electron bond. (2014) (30)
- A theoretical study of [M(PH3)4] (M = Ru or Fe), models for the highly reactive d8 intermediates [M(dmpe)2] (dmpe = Me2PCH2CH2PMe2). Zero activation energies for addition of CO and oxidative addition of H2‡ (1998) (30)
- Structural variants of tetranuclear L4Cu4X4. Influence of L on the coordination mode of copper(I) (1992) (30)
- A novel coordination mode for oxygen: preparation and properties of (NBun4)2[V4O(edt)2Cl8] containing a square-planar oxide bridge (1989) (30)
- The reaction of the unsaturated rhenium fragment {Re(η5-C5Me5)(CO)2} with 1,4-difluorobenzene. Thermal intramolecular conversion of a rhenium (difluorophenyl)(hydride) to Re(η2-C6H4F2) and a [1,4]-metallotropic shift (2001) (29)
- DFT calculations of NMR JC–H coupling constants: An additional tool to characterize the α-agostic interaction in high oxidation state M-alkylidene complexes (M = Re, Mo and Ta) (2006) (29)
- Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V). (1997) (29)
- The reaction of bis(1,2,4-tri-t-butylcyclopentadienyl)ceriumbenzyl, Cp'2CeCH2Ph, with methylhalides: a metathesis reaction that does not proceed by a metathesis transition state. (2010) (29)
- DFT modeling of ligands in lanthanide chemistry: Is Ln[N(SiH3)2]3 a model for Ln[N(SiMe3)2]3? (2001) (29)
- Redox-active organometallic Ir complexes containing biphenyl-2,2′-diyl (1993) (28)
- Solid‐State and Solution Structures of [{NW(OC(CH3)2CF3)3}3] and Factors Favoring the Metathesis of CN and WW Triple Bonds in Reactions Involving Organic Nitriles and Ditungsten Hexaalkoxides (1995) (28)
- Successive heterolytic cleavages of H2 achieve N2 splitting on silica-supported tantalum hydrides: a DFT proposed mechanism. (2012) (27)
- STRUCTURAL AND DYNAMIC PROPERTIES OF OSH2X2L2 (X=CL, BR, I; L=PIPR3) COMPLEXES : INTERCONVERSION BETWEEN REMARKABLE NON-OCTAHEDRAL ISOMERS (1995) (27)
- Isolable, Unsaturated Ru(0) in Ru(CO)2(PtBu2Me)2: Not Isostructural with Rh(I) in Rh(CO)2(PR3)2+ (1995) (27)
- Bond Activations of PhSiH3 by Cp2SmH: A Mechanistic Investigation by the DFT Method (2009) (27)
- Quantum Exchange Coupling: A Hypersensitive Indicator of Weak Interactions (1997) (26)
- Cyclometalated N-heterocyclic carbene complexes of ruthenium for access to electron-rich silylene complexes that bind the Lewis acids CuOTf and AgOTf. (2014) (26)
- π-Bond Character in Metal-Alkyl Compounds for C-H Activation: How, When, and Why? (2018) (26)
- Atom economic synthesis of amides via transition metal catalyzed rearrangement of oxaziridines (2007) (26)
- Are the carbon monoxide complexes of Cp(2)M (M = Ca, Eu, or Yb) carbon or oxygen bonded? An answer from DFT calculations. (2002) (26)
- Theoretical studies of SN2 transition states, the alpha effect (1982) (25)
- Structural and dynamic properties of propane coordinated to TpRh(CNR) from a confrontation between theory and experiment (2007) (25)
- Geminal dehydrogenation of ether and amine C(sp3)H2 groups by electron-rich Ru(II) and Os (2002) (25)
- Different van der Waals radii for organic and inorganic halogen atoms: a significant improvement in IMOMM performance (1997) (25)
- Splitting dioxygen with mesitylcopper(I). An arylcopper(I) intermediate, formed in a coupling reaction, containing two trapped trigonal pyramidally coordinated oxides (1993) (25)
- 1,2-hydrogen migration to a saturated ruthenium complex via reversal of electronic properties for tin in a stannylene-to-metallostannylene conversion. (2014) (25)
- Nitrido Dimers and Trimers of Tungsten Supported by tBuMe2SiO and CF3Me2CO Ligands, Respectively. Factors Influencing the Reductive Cleavage of Nitriles by Tungsten–Tungsten Triple Bonds and An Analysis of the Structure of the Cyclotrimer (1999) (25)
- Molecular recognition in Mn-catalyzed C-H oxidation. Reaction mechanism and origin of selectivity from a DFT perspective. (2009) (24)
- CP CO(P4)CP CO)2(MU -CO) (CP =ETA 5-C5H3TBU2) : A COMPLEX WITH A P4 UNIT ON THE WAY TO A P1 AND A P3 LIGAND (1995) (24)
- Theoretical analysis of the addition of nucleophiles to (.eta.4-diene)MLn complexes (1987) (24)
- Chemoselectivity in σ bond activation by lanthanocene complexes from a DFT perspective: reactions of Cp2LnR (R = CH3, H, SiH3) with SiH4 and CH3–SiH3 (2007) (24)
- [Ru(Ph)(CO)(PtBu2Me)2]+: A Unique 14-Electron Ru11 Complex with Two Agostic Interactions† (1997) (24)
- Understanding reactivity trends by structural and theoretical studies of distortions in ground-state reagents (1991) (23)
- Deciphering Selectivity in Organic Reactions: A Multifaceted Problem. (2016) (23)
- Theoretical study of borohydride addition to formaldehyde. A one-step, nonsynchronous transition state (1982) (22)
- Why Is β-Me Elimination Only Observed in d0 Early Transition Metal Complexes? An Organometallic Hyperconjugation Effect with Consequences for the Termination Step in Ziegler-Natta Catalysis (1994) (22)
- A theoretical study of the formation and reactivity of substituted cyclohexadienyliron complexes. The structures and reactivities of tricarbonyl(2-methoxycyclohexadienyl)iron cation and tricarbonyl(1-methyl-4-methoxycyclohexadienyl)iron cation and tricarbonyl(1-methyl-4-methoxycyclohexadienyl)iron c (1984) (22)
- Site Preference Energetics, Fluxionality, and Intramolecular M−H···H−N Hydrogen Bonding in a Dodecahedral Transition Metal Polyhydride† (1997) (22)
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- Silyl, hydrido-silylene, or other bonding modes: some unusual structures of [(dhpe)Pt(SiHR2)]+ (dhpe = H2P-CH2-CH2-PH2; R = H, Me, SiH3, Cl, OMe, NMe2) and [(dhpe)Pt(SiR3)](+) (R = Me, Cl) from DFT calculations. (2002) (17)
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- Isomeric Hydrido/Vinylidene, MH(halide)(CCH2)L2, and Ethylidyne, M(halide)(C−CH3)L2 (M = Os, Ru; L = Phosphine), Are Energetically Similar but Not Interconverting (1998) (15)
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- A double ionic mechanism for the Chapman-like rearrangement of imino-ethers to N-alkylmides, in the solid state or in the melt. Theoretical and experimental evidence (1992) (13)
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- Theoretical study of the conformations of cis carbene-acetylene transition metal complexes (1988) (0)
- Biscarbene—Ruthenium Complexes in Catalysis: Novel Stereoselective Synthesis of (1E,3E)-1,4-Disubstituted-1,3-dienes via Head-to-Head Coupling of Terminal Alkynes and Addition of Carboxylic Acids. (2004) (0)
- Perspective on “Intermolecular Orbital Theory of the Interactions Between Conjugated Systems.” Part 1. General Theory. Part 2. Thermal and Photochemical Cycloadditions (2010) (0)
- Theoretical Analysis of Radical Addition Reactions: On the Anomalous Behavior of CH3Toward Fluoro-Substituted Olefins (UHF/3-2lG-Rechnungen der CH3-Addition an CF2= CFH und CH2= CFH). (1986) (0)
- REDUCTION OF KETONES BY SODIUM BOROHYDRIDE IN THE ABSENCE OF PROTIC SOLVENTS. INTER- VERSUS INTRAMOLECULAR MECHANISM (1983) (0)
- Intermediate valence, local antiferromagnetic coupling and the Kondo effect in ytterbium organometallic molecules (2008) (0)
- Solid-State 19F NMR Chemical Shift in Square-Planar Nickel–Fluoride Complexes Linked by Halogen Bonds (2023) (0)
- Stabilisation of three coordinate Cu(I) a theoretical and experimental study (1992) (0)
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Other Resources About Odile Eisenstein
What Schools Are Affiliated With Odile Eisenstein?
Odile Eisenstein is affiliated with the following schools:
- University of Oslo
- University of York
- University of California, Berkeley
- Université Paris Cité
- CY Cergy Paris University
- University of Michigan
- Cornell University
- Polytechnic Institute of Paris
- Federal University of Toulouse Midi-Pyrénées
- Autonomous University of Barcelona
- University of Zaragoza
- University of Montpellier
- University of Girona
