V. Robert

发表

Toward Reliable DFT Investigations of Mn-Porphyrins through CASPT2/DFT Comparison.

M. Képénekian, A. Calborean, V. Vetere, 2011, Journal of chemical theory and computation.

The Motion of an Azobenzene Light‐Controlled Switch: A Joint Theoretical and Experimental Approach

V. Robert, A. Jouaiti, M. Mauro, 2019, ChemSystemsChem.

Do π-π stacking interactions really play a role in the magnetic coupling mechanisms of [Cu2(μ2-CH3COO)2L2(H2O)2]n+ (L = heterocyclic base, n = 0, 2) complexes? An ab initio inspection.

B. le Guennic, V. Robert, N. Bandeira, 2013, Inorganic chemistry.

Evaluation of the aromatic contribution to the energy of periodic lattices

V. Robert, J. Malrieu, 2006 .

Synthesis and characterizations of cyclic octanuclear mixed-valence vanadium(IV,V) clusters with polyoxometalate counterions.

J. Marrot, V. Robert, A. Dolbecq, 2006, Dalton transactions.

Exchange interactions in oxovanadium phosphates: towards the understanding of the magnetic patterns

V. Robert, S. Petit, S. Borshch, 2003 .

Role of mixed-valence state in vanadium phosphates catalysts

V. Robert, B. Bigot, S. Borshch, 1997 .

FOUR-NUCLEAR MIXED-VALENCE VANADIUM CLUSTERS : DIVERGENCE OF PHENOMENOLOGICAL AND MOLECULAR ORBITAL MODELS

V. Robert, B. Bigot, S. Borshch, 1996 .

Theoretical analysis of the vanadyl pyrophosphate (VO)2P2O7 31P NMR spectra

V. Robert, L. M. L. Daku, B. Bigot, 2000 .

Probing the Influence of the Ligands on the Magnetism of Dinuclear Manganese, Iron, and Chromium Complexes Supported by Aroylhydrazone

V. Robert, R. Welter, Vitor Rosa, 2014 .

Investigation of Hemicryptophane Host-Guest Binding Energies Using High-Pressure Collision-Induced Dissociation in Combination with RRKM Modeling

R. Cole, V. Robert, Alexandre Martinez, 2018, Journal of The American Society for Mass Spectrometry.

Role of pre-organization around the azaphosphatrane catalyst's active site in the conversion of CO2 to cyclic carbonates

V. Robert, V. Dufaud, Bastien Chatelet, 2014 .

Combined cation-π and anion-π interactions for zwitterion recognition.

V. Robert, J. Dutasta, Alexandre Martinez, 2012, Angewandte Chemie.

Charge transfer processes: the role of optimized molecular orbitals.

V. Robert, B. Meyer, Alex Domingo, 2014, Dalton transactions.

Nonheme “FeIVO” Models: Ab Initio Analysis of the Low‐Energy Spin State Electronic Structures

V. Robert, J. Girerd, F. Banse, 2008 .

Tailoring antibacteria agents: Sulfonamide-based dinuclear and 1D polymer Cu(II) complexes

V. Robert, D. Luneau, G. Pilet, 2012 .

Optical properties of a donor–acceptor-substituted “hemi-cruciform” catechol derivative

V. Robert, J. Chauvin, C. Aronica, 2010 .

Insights into the Complexity of Weak Intermolecular Interactions Interfering in Host-Guest Systems.

V. Robert, Bastien Chatelet, J. Dutasta, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Cubane variations: syntheses, structures, and magnetic property analyses of lanthanide(III)-copper(II) architectures with controlled nuclearities.

W. Wernsdorfer, B. le Guennic, V. Robert, 2007, Inorganic chemistry.

Remote control of helical chirality: thermodynamic resolution of a racemic mixture of CTV units by remote stereogenic centers.

V. Robert, V. Dufaud, Bastien Chatelet, 2015, Organic letters.

From Hartree–Fock to Electron Correlation: Application to Magnetic Systems

M. Képénekian, V. Robert, B. L. Guennic, 2009 .

A modified coupled-cluster-based investigation of delocalization in tight-binding Hamiltonians

V. Robert, A. Boullanger, 2005 .

Delocalization in Tight-Binding Hamiltonians: A Modified Coupled-Cluster Based Investigation

V. Robert, A. Boullanger, 2005, cond-mat/0502324.

Three-Coordinate Iron(II) N-Heterocyclic Carbene Alkyl Complexes

V. Robert, P. Braunstein, P. Rabu, 2012 .

A combined experimental and theoretical study of carboxylate coordination modes: a structural probe.

V. Robert, G. Lemercier, 2006, Journal of the American Chemical Society.

A designed cavity for zwitterionic species: selective recognition of taurine in aqueous media.

V. Robert, J. Dutasta, Alexandre Martinez, 2011, Chemistry.

Contactless Spin Switch Sensing by Chemo‐Electric Gating of Graphene

V. Robert, Kh. Shakouri, G. Schneider, 2020, Advanced materials.

Recognition of the persistent organic pollutant chlordecone by a hemicryptophane cage

V. Robert, J. Dutasta, Alexandre Martinez, 2019, New Journal of Chemistry.

Positive Cooperative Effect in Ion-Pair Recognition by a Tris-urea Hemicryptophane Cage.

V. Robert, Bastien Chatelet, J. Dutasta, 2018, Chemistry.

Hemicryptophane-assisted electron transfer: a structural and electronic study.

V. Robert, J. Dutasta, Alexandre Martinez, 2013, Dalton transactions.

The cooperative effect in ion-pair recognition by a ditopic hemicryptophane host.

V. Robert, J. Dutasta, Alexandre Martinez, 2011, Chemistry.

Ferromagnetic interaction in an asymmetric end-to-end azido double-bridged copper(II) dinuclear complex: a combined structure, magnetic, polarized neutron diffraction and theoretical study.

V. Robert, Hani El Moll, E. Jeanneau, 2007, Chemistry.

V. Robert, N. Guihéry, D. Maynau, 2006, Inorganic chemistry.

Orthogonally Constrained Orbital Optimization: Assessing Changes of Optimal Orbitals for Orthogonal Multireference States.

V. Robert, S. Yalouz, 2022, Journal of chemical theory and computation.

Environment effects on effective magnetic exchange integrals and local spectroscopy of extended strongly correlated systems

V. Robert, N. Suaud, M. Lepetit, 2003, cond-mat/0312377.

Pairing-up viologen cations and dications: a microscopic investigation of van der Waals interactions.

V. Robert, C. Gourlaouen, J. Weiss, 2018, Physical chemistry chemical physics : PCCP.

Amidinium-Containing 2D [MnCr] Dimetallic Oxalate-Based Networks – The Influence on Structure and Magnetism Explored by Combining Experience and Theory

V. Robert, Cătălin Maxim, M. W. Hosseini, 2016 .

A vibronic approach to the band-filling and temperature-dependent metal-insulator transition.

V. Robert, 2004, The Journal of chemical physics.

Seeking hidden magnetic phenomena by theoretical means in a thiooxoverdazyl adduct.

V. Robert, J. Pécaut, N. Bréfuel, 2012, Chemistry, an Asian journal.

Experimental and theoretical investigations of the stereoselective synthesis of p-stereogenic phosphine oxides.

V. Robert, E. Framery, L. Jean‐Gérard, 2015, Chemistry.

Tuning magnetic exchange using the versatile azide ligand

V. Robert, B. L. Guennic, G. Chastanet, 2008 .

Shearing‐Like Distortion in Binuclear End‐to‐End CuII Azido Compounds: An Ab Initio Study of the Magnetic Interactions

V. Robert, D. Luneau, C. Aronica, 2007 .

Fundamentals, Principles, and Concepts of Molecular Magnetism and Spintronics

V. Robert, M. Verdaguer, 2013 .

Coexistence of intramolecular ligand-mediated and through hydrogen-bond magnetic interactions in a chain of dicopper(II) units.

B. le Guennic, V. Robert, N. Bandeira, 2011, Inorganic chemistry.

Cis-trans isomeric and polymorphic effects on the magnetic properties of water-bridged copper coordination chains.

B. le Guennic, V. Robert, Z. Jagličić, 2012, Inorganic chemistry.

Antiferromagnetic behavior based on quasi-orthogonal MOs: synthesis and charaterization of a Cu3 oxidase model.

V. Robert, B. L. Guennic, G. Chastanet, 2008, Inorganic chemistry.

From magnetic molecules to magnetic solids: An ab initio expertise

V. Robert, B. L. Guennic, 2008 .

Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+ bimetallic complex

Vincent Robert, Celestino Angeli, Coen de Graaf, 2015, J. Comput. Chem..

Angular Distortions at Benzylic Carbons Due to Intramolecular Polarization-Induced Metal–Arene Interactions: A Case Study with Open-Shell Chromium(II) NHC Complexes

Martin J. Hanton, V. Robert, R. Tooze, 2013 .

Coexistence of two thermally induced intramolecular electron transfer processes in a series of metal complexes [M(Cat-N-BQ)(Cat-N-SQ)]/[M(Cat-N-BQ)2] (M = Co, Fe, and Ni) bearing non-innocent catechol-based ligands: a combined experimental and theoretical study.

V. Robert, J. Sutter, A. Dei, 2010, Chemistry.

Competing Large and Small Angles in a Double End-On Azido Copper(II) Binuclear Complex: A Combined Experimental and Theoretical Study of Magnetic Interactions

V. Robert, E. Gao, Q. Jia, 2009 .

A 1D coordination polymer built on asymmetric μ1,1,3-azide bridge: from unusual topology to magnetic properties and Cu(II)/Cu(I) redox reversibility

V. Robert, B. L. Guennic, G. Chastanet, 2012 .

Nickel(II) chain with alternating end-on/end-to-end single azido bridges: a combined structural, magnetic, and theoretical study.

V. Robert, R. Clérac, C. Mathonière, 2008, Inorganic chemistry.

A bottom-up valence bond derivation of excitation energies in 1D-like delocalized systems.

M. Képénekian, V. Robert, J. Malrieu, 2012, Physical chemistry chemical physics : PCCP.

Experimental and theoretical studies on the magnetic properties of manganese(II) compounds with mixed isocyanate and carboxylate bridges.

V. Robert, E. Gao, N. Bandeira, 2011, Chemistry.

Twisting induces ferromagnetism in homometallic clusters.

V. Robert, G. Pilet, G. Novitchi, 2017, Dalton transactions.

Origin of ferromagnetism and magnetic anisotropy in a family of copper(II) triangles.

V. Robert, R. Raptis, G. Rogez, 2020, Chemistry.

Beyond Kahn's Model: Substituent and Heteroatom Influence on Exchange Interaction in a Metal-Verdazyl Complex

V. Robert, C. Calzado, L. Norel, 2010 .

Primary role of the electrostatic contributions in a rational growth of hysteresis loop in spin-crossover Fe(II) complexes.

M. Képénekian, B. le Guennic, V. Robert, 2009, Journal of the American Chemical Society.

Valence distribution and structural distortions in MMX chain compounds

V. Robert, K. Prassides, S. Borshch, 1998 .

Endohedral Functionalized Cage as a Tool to Create Frustrated Lewis Pairs.

V. Robert, V. Dufaud, Bastien Chatelet, 2018, Angewandte Chemie.

A new route towards redox bistability through the inspection of manganese-porphyrin complexes.

M. Képénekian, V. Vetere, B. le Guennic, 2011, Chemistry.

Microscopic origins of the ferromagnetic exchange coupling in oxoverdazyl-based Cu(II) complex.

V. Robert, C. Calzado, C. Train, 2010, The Journal of chemical physics.

Excited state spinmerism in high-ﬁeld Fe(II)-verdazyl molecular complex: versatile local spins for quantum information

V. Robert, S. Yalouz, D. J. Brook, 2022 .

Modifications of Tanabe-Sugano d6 Diagram Induced by Radical Ligand Field: Ab Initio Inspection of a Fe(II)-Verdazyl Molecular Complex.

V. Robert, S. Yalouz, N. Ben Amor, 2022, Inorganic chemistry.

Inspection of the duality of a verdazyl-based radical in transition metal complexes: a pi* donor ligand and a magnetic partner.

V. Robert, D. Maynau, L. Norel, 2008, Journal of the American Chemical Society.

Spin transition and exchange interaction: Janus visions of supramolecular spin coupling between face-to-face verdazyl radicals.

V. Robert, Lise‐Marie Chamoreau, G. Pilet, 2011, Angewandte Chemie.

Ligands bonded to metal ion or through-metal interacting ligands? Analysis of unusual bonds formation in the (BDTA)2[Co(mnt)2] material.

K. Awaga, M. Képénekian, B. le Guennic, 2009, Physical chemistry chemical physics : PCCP.

Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materials.

F. Mota, J. Novoa, V. Robert, 2013, Physical chemistry chemical physics : PCCP.

Suppression of the Peierls instability in 1D system: Semi-local approach to Little’s conjecture

M. Képénekian, V. Robert, R. Grüber, 2010 .

Magnetic and conduction properties in 1D organic radical materials: an ab initio inspection for a challenging quest.

M. Képénekian, B. le Guennic, V. Robert, 2011, Physical chemistry chemical physics : PCCP.

Addressing Through-H Magnetic Interactions: A Comprehensive ab Initio Analysis of This Efficient Coupler.

V. Robert, B. L. Guennic, D. Maynau, 2009, Journal of chemical theory and computation.

Controlling helical chirality in atrane structures: solvent-dependent chirality sense in hemicryptophane-oxidovanadium(V) complexes.

V. Robert, J. Dutasta, Alexandre Martinez, 2010, Chemistry.

Selective recognition of acetylcholine over choline by a fluorescent cage.

V. Robert, J. Dutasta, Alexandre Martinez, 2019, Organic & biomolecular chemistry.

Hemicryptophane host as efficient primary alkylammonium ion receptor.

V. Robert, J. Dutasta, Alexandre Martinez, 2012, Organic & biomolecular chemistry.

Enantiopure encaged Verkade's superbases: Synthesis, chiroptical properties, and use as chiral derivatizing agent.

V. Robert, V. Dufaud, Bastien Chatelet, 2019, Chirality.

Multidimensional network structures and versatile magnetic properties of intermolecular compounds of a radical-anion ligand, [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 1,1-dioxide.

K. Awaga, V. Robert, C. Calzado, 2013, Inorganic chemistry.

Molecular Orbital Model of Electron Delocalization in Mixed-Valence Trimeric Clusters

V. Robert, B. Bigot, S. Borshch, 1996 .

Synthesis of the first water-soluble hemicryptophane host: selective recognition of choline in aqueous medium.

V. Robert, J. Dutasta, Alexandre Martinez, 2014, Organic letters.

Discovery of the K4 Structure Formed by a Triangular π Radical Anion.

K. Awaga, F. Illas, V. Robert, 2015, Journal of the American Chemical Society.

Hemicryptophanes with Improved Fluorescent Properties for the Selective Recognition of Acetylcholine over Choline.

V. Robert, J. Dutasta, Alexandre Martinez, 2020, The Journal of organic chemistry.

Crystal structure, spin polarization, solid-state electrochemistry, and high n-type carrier mobility of a paramagnetic semiconductor: vanadyl tetrakis(thiadiazole)porphyrazine.

K. Awaga, Y. Ouchi, M. Képénekian, 2012, Inorganic chemistry.

Helical Chirality Induces a Substrate-Selectivity Switch in Carbohydrates Recognitions.

V. Robert, J. Dutasta, Alexandre Martinez, 2018, The Journal of organic chemistry.

Ab initio derivation of multi-orbital extended Hubbard model for molecular crystals.

V. Robert, M. Tsuchiizu, Y. Suzumura, 2011, The Journal of chemical physics.

MO model of electron delocalisation in mixed-valence biotahedral clusters

V. Robert, B. Bigot, S. Borshch, 1995 .

Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach.

V. Robert, Emmanuel Fromager, S. Vela, 2017, The Journal of chemical physics.

Switching magnetic interactions in the NiFe Prussian Blue Analogue: an ab initio inspection.

V. Robert, N. B. Amor, Tim Krah, 2014, Physical chemistry chemical physics : PCCP.

Triple differential cross sections for the ionization of pyrimidine by electron impact

V. Robert, Z. El Bitar, P. Hervieux, 2019, The European Physical Journal D.

Unusual bond formation in aspartic protease inhibitors: a theoretical study.

V. Robert, P. Fleurat‐Lessard, J. Pilmé, 2007, Chemistry.

Treating the I− anion as a zero-electron system: the LiI− and CsI− alkali halides anions

F. Spiegelman, V. Robert, M. Lepetit, 2003 .

Local density approximation in site-occupation embedding theory

Vincent Robert, Emmanuel Fromager, V. Robert, 2016, 1602.02547.

Ensemble Density Functional Theory of Neutral and Charged Excitations

V. Robert, Bruno Senjean, Emmanuel Fromager, 2021, Topics in Current Chemistry.

A rational reduction of CI expansions: combining localized molecular orbitals and selected charge excitations

J. A. Berger, V. Robert, D. Maynau, 2014, Journal of Molecular Modeling.

Vacancy‐Induced Deformation in a CoFe Prussian Blue Analogue – A Theoretical Investigation

V. Robert, A. Zanchet, N. Suaud, 2012 .

Reliability and storage capacity: a compromise illustrated in the two-step spin-crossover system [Fe(bapbpy)(NCS)(2)].

M. Képénekian, B. le Guennic, V. Robert, 2010, Inorganic chemistry.

Magnetic Bistability: from Microscopic to Macroscopic Understandings of Hysteretic Behavior using ab initio Calculations

M. Képénekian, V. Robert, B. L. Guennic, 2009 .

On the zeroth‐order hamiltonian for CASPT2 calculations of spin crossover compounds

Vincent Robert, Maria Fumanal, Sergi Vela, 2016, J. Comput. Chem..

Towards an accurate and computationally-efficient modelling of Fe(II)-based spin crossover materials.

V. Robert, J. Ribas-Ariño, M. Fumanal, 2015, Physical chemistry chemical physics : PCCP.

Spin filtering in molecular junction: magnetoresistance evaluation from wave-function calculations.

V. Robert, S. Borshch, M. Vérot, 2013, The Journal of chemical physics.

Electron Transport Through a Molecular Junction Using a Multi-configurational Description

V. Robert, S. Borshch, M. Vérot, 2013 .

What zeroth-order Hamiltonian for CASPT2 adiabatic energetics of Fe(II)N(6) architectures?

M. Képénekian, B. le Guennic, V. Robert, 2009, The Journal of chemical physics.

Triple differential cross sections for the ionization of tetrahydrofuran by electron impact

V. Robert, Z. E. Bitar, J. Pansanel, 2018, Journal of Physics B: Atomic, Molecular and Optical Physics.

Importance of a multiconfigurational description for molecular junctions

V. Robert, S. Borshch, M. Vérot, 2012 .

A rational design of catechol-based compounds: an experimental and theoretical study of optical properties.

V. Robert, J. Chauvin, C. Aronica, 2009, Chemistry.

A local approach to delocalized electronic systems: semilocal evaluation of the cohesive energies of tight-binding Hamiltonians.

V. Robert, J. Malrieu, 2004, The Journal of chemical physics.

Relative importance of local and collective effects in the distortivity of one-dimensional chains.

V. Robert, J. Malrieu, 2004, The Journal of chemical physics.

Toward verdazyl radical-based materials: ab initio inspection of potential organic candidates for spin-crossover phenomenon.

B. le Guennic, V. Robert, Jean-Baptiste Rota, 2010, Inorganic chemistry.

Intramolecular charge ordering in the multi molecular orbital system (TTM-TTP)I3.

V. Robert, M. Tsuchiizu, Y. Suzumura, 2009, The Journal of chemical physics.

A fluorescent heteroditopic hemicryptophane cage for the selective recognition of choline phosphate.

V. Robert, J. Dutasta, Alexandre Martinez, 2015, Chemical communications.

Enhanced Cooperativity in Supported Spin-Crossover Metal-Organic Frameworks.

N. Papior, M. Képénekian, B. le Guennic, 2017, The journal of physical chemistry letters.

Ab initio study of intriguing coordination complexes: a metal field theory picture.

F. Neese, V. Robert, N. Guihéry, 2008, The journal of physical chemistry. A.

A new fluorescent hemicryptophane for acetylcholine recognition with an unusual recognition mode

I. Baraille, V. Robert, J. Dutasta, 2020 .

A rational design of catechol-based compounds: an experimental and theoretical study of optical properties.

V. Robert, J. Chauvin, C. Aronica, 2009, Chemistry.

Prussian blue analogue CsFe[Cr(CN)(6)] as a matrix for the Fe(II) spin-crossover.

B. le Guennic, V. Robert, S. Borshch, 2007, Inorganic chemistry.