Vincent ROBERT - Publications

Combining Open-Shell Verdazyl Environment and Co(II) Spin-Crossover: Spinmerism in Cobalt Oxoverdazyl Compound
Roseiro, P.; Ben Amor, N.; Robert, V.
Chem. Phys. Chem. 2022, ???, ????

Environmental effects on the singlet fission phenomenon: a model Hamiltonian-based study
Roseiro, P.; Robert, V.
Phys. Chem. Phys. Chem. 2022, ???, ????

Top

Ensemble Density Functional Theory of Neutral and Charged Excitations
Cernatic, F; Senjean, B.; Robert, V.; Fromager, E.
Topics in Current Chemistry 2021, 380, 4

Top

Contactless Spin Switch Sensing by Chemo-Electric Gating of Graphene
van Geest, E. P.; Shakouri, K.; Robert, V.; Tudor, V.; Bonnet, S.; Schneider, G. F.
Adv. Mat. 2020, 32, 1903575

Enantiopure Encaged Verkade’s Superbases: Synthesis, Chiroptical Properties,
and Use as Chiral Derivatizing Agent
Yang, J.; Lacour, J.; Chatelet, B.; Herault, D.; Dufaud, V.; Robert, V.; Vanthuyne, N.; Albalat, M.; Jean, M.; Martinez, A.
Chirality 2020, 32, 139-146

Origin of Ferromagnetism and Magnetic Anisotropy in a Family of Copper(II) Triangles
Mathivatanan, L.; Rogez, G.; Ben Amor, N.; Robert, V.; Raptis, R. G.; Boudalis, A.
Chem. Eur. J. 2020, 26, 12769-12784

A New Fluorescent Hemicryptophane for Acetylcholine Recognition with an Unusual Recognition Mode
Fantozzi, N.; Pétuya, R; Insuasty, A.; Long, A.; Lefevre, S.; Schmitt, A.; Robert, V.; Dutasta, J.-P.;
Baraille, I.; Guy, L.; Genin, E.; Bégué, D.; Martinez, A.; Pinet, S.; Gosse, I.
New. J. Chem. 2020, 44, 11853-11860

Top

The Motion of an Azobenzene Light-Controlled Switch: A Joint Theoretical and Experimental Approach
Godde, B.; Jouaiti, A.; Mauro, M.; Marquardt, R.; Chaumont, A.; Robert, V.
Chem. Syst. Chem. 2019, https://DOI: 10.1002/syst.201900003

Triple Differential Cross Sections for the Ionization of Pyrimidine by Electron Impact
Mouawad, L.; Hervieux, P.-A.; Dal Cappello, C.; Pansanel, J.; Robert, V.; El Bitar, Z.
Eur. Phys. J. D 2019, https://doi.org/10.1140/epjd/e2019-90348-1

The Multiple Origins of Complexity in the Molecular World: Bonds, Interactions, and Cooperativity
Robert, V.
Journal of the CIPH 2019, 95, 137-147

Top

Positive Cooperative Effect in Ion-Pair Recognition by a Tris-urea Hemicryptophane Cage
Delecluse, M.; Moraleda, D.; deRiggi, I.; Duprat, F.; Michaud-Chevallier, D.; Dutasta, J.-P.; Robert, V.; Chatelet, B.; Martinez, A.
Chem. Eur. J. 2018, https://doi.org/10.1002/chem.201805534

Investigation of Hemicryptophane Host-Guest Binding Energies Using High-Pressure Collision
Induced Dissociation in Combination with RRKM Modeling
Bayat, P.; Gatineau, D.; Lesage, D.; Robert, V.; Martinez, A.; Cole, R. B.
J. Am. Soc. Mass Spec. 2018, 30, 509-518

Pairing-up Viologen Cations and Dications: a Microscopic Investigation of van der Waals Interactions
Gourlaouen, C.; Vela, S.; Choua, S.; Berville, M.; Wytko, J. A.; Weiss, J.; Robert, V.
Phys. Chem. Chem. Phys. 2018, 20, 27878-27884

Endohedral Functionalized Cage as a Tool to Create Frustrated Lewis Pairs
Martinez, A. ; Yang, J. ; Châtelet, B. ; Hérault, D. ; Dutasta, J. ; Dufaud, V. ; Michaud-Chevallier, S.; Robert, V.
Angew. Chem. 2018, 57, 14212-14215

Triple Differential Cross Sections for the Ionization of Tetrahydrofuran by Electron Impact
Mouawad, L.; Hervieux P.-A.; Dal Cappello, C.; Pansanel, J.; Robert, V.; El Bitar, Z.
J. Phys. B: At. Mol. Opt. Phys. 2018, 51, 175201-175211

Helical Chirality Induces a Substrate-Selectivity Switch in Carbohydrates Recognitions
Long, A.; Perraud, O.; Albalat, M.; Robert, V.; Dutasta, J.-P.; Martinez A.
J. Org. Chem. Phys. 2018, 83, 6301–6306

Top

Twisting Induces Ferromagnetism in Homometallic Clusters
Novitchi, G.; Vela, S.; Pilet, G.;Train, C.; Robert, V.
Dalton Trans. 2017, 46, 11154-11158

Enhanced Cooperativity in supported Spin-Crossover Metal-Organic Frameworks
Groizard, T.; Papior, N.; Le Guennic, B.; Robert, V.; Kepenekian, M.
Phys. Chem. Lett. 2017, 8, 3415-3420

Electron Transport Through a Spin Crossover Junction.
Perspectives from a Wavefunction-Based Approach
Vela, S.; Vérot, M.; Fromager, E.; Robert, V.
J. Chem. Phys. 2017, 146, 064112

Top

Local Density Approximation in Site-Occupation Embedding Theory
Senjean, B.; Tsuchiizu, M.; Robert, V.; Fromager, E.
Mol. Phys. 2016, 16, 2931–2935

On the Zeroth-Order Hamiltonian for CASPT2 Calculations of Spin Crossover Compounds
Vela, S.; Fumanal, M.; Ribas-Ariño, J.; Robert, V.
J. Comput. Chem. 2016, 37, 947-953

Amidinium Containing 2D [MnCr] Dimetallic Oxalate-Based Networks - The Influence
on Structure and Magnetism Explored by Combining Experience and Theory
Maxim, C.; Saureu, S.; de Graaf, C.; Ferlay, S.; Hosseini, M. W.; Robert, V.; Train, C.
Eur. J. Inorg. Chem. 2016, 4185-4193

Top

Insights into the Complexity of Interfering Weak Interactions in Host-Guest Systems
Zhang, D.; Chatelet,B.; Serrano, E.; Perraud, O.; Dutasta, J.-P.; Robert, V.; Martinez, A.
Chem. Phys. Chem. 2015, 16, 2931–2935

Discovery of the K₄ Structure Formed by a Triangular π Radical Anion, NDI-&Delta
Mizuno, A.; Shuku, Y.; Suizu, R.; Matsushita, M.; Tsuchiizu, M.; Reta Mañeru, D.;
Illas, F.; Robert, V.; Awaga, K.
J. Am. Chem. Soc. 2015, 137, 7612-7615

Towards an Accurate and Computationally-Efficient Modelling of
Fe(II)-Based Spin Crossover Materials
Vela, S.; Fumanal, M.; Ribas-Arino, J. Robert, V.
Phys. Chem. Chem. Phys. 2015, 17, 16306-16314

Experimental and Theoretical Investigations of the Stereoselective
Synthesis of P-Stereogenic Phosphine Oxides
Copey, L.; Jean-Gérard, L.; Framery, E.; Pilet, G.; Robert, V.; Andrioletti, B.
Chem. A. Eur. J. 2015, 21, 9057–9061

Electron Reorganization Triggered by Electron Transfer: the Inter-Valence
Charge Transfer of a Fe³⁺/Fe²⁺ bi-Metallic Complex
Domingo, A.; de Graaf, C.; Angeli, C.; Robert, V.
J. Comp. Chem. 2015, 36, 861–869

Remote Control of Helical Chirality: Thermodynamic Resolution of a
Racemic Mixture of CTV Units by Remote Stereogenic Centers
Martinez, A.; Chatelet, B.; Dutasta, J.-P.; Robert, V.;
Di Bari, L.; Padula, P.; Pilet, G.; Dufaud, V.; Joucla, L.
Org. Lett. 2015, 17, 500-503

A Fluorescent Heteroditopic Hemicryptophane Cage for the Selective Recognition
of Choline Phosphate
Martinez, A.; Dutasta, J.-P.; Robert, V.; Dawei, Z.; Gao, G.; Guy, L.
Chem. Comm. 2015, 51, 2679-2682

Top

Role of Pre-organization around the Azaphosphatrane Catalyst's Active Site
in the Conversion of CO2 to Cyclic Carbonates
Chatelet, B.; Jeanneau, E.; Dutasta, J.-P.; Robert, V.; Martinez, A.; Dufaud, V.
Catal. Comm. 2014, 52, 26-30

Synthesis of the First Water-Soluble Hemicryptophane Host: Selective Recognition
of Choline in Aqueous Medium
Schmitt, A.; Robert, V.; Dutasta, J.-P.; Martinez, A.
Org. Lett. 2014, 16, 2374-2377

Probing the Influence of the Ligands on the Magnetism of Dinuclear Manganese,
Iron, and Chromium Complexes Supported by Aroylhydrazone
Domingo, A.; Specklin, D.; Rosa, V.; Mameri, S.; Robert, V.; Welter, R.
Eur. J. Inorg. Chem. 2014, 16, 2374-2377

Switching Magnetic Interactions in the NiFe Prussian Blue Analogue: an Ab Initio Inspection
Krah, T.; Ben Amor, N.; Robert, V.
Phys. Chem. Chem. Phys. 2014, 16, 9509-9514

Charge Transfer Processes: the Role of Optimized Molecular Orbitals
Meyer, B.; Domingo, A.; Krah, T.; Robert, V.
Dalton Trans. 2014, 43, 11209-11215

A Rational Reduction of CI Expansions: Combining Localized Molecular Orbitals
and Selected Charge Excitations
Krah, T.; Ben Amor, N.; Maynau, D.; Berger, J. A.; Robert, V.
J. Mol. Mod. 2014, 20, 2240-2246

Top

Hemicryptophane-assisted Electron Transfer: a Structural and Electronic Study
Perraud, O.; Tommasino, J.-B.; Robert, V.; Albela, B.; Khrouz, L.; Bonneviot, L.; Dutasta, J.-P.; Martinez, A.
Dalton Trans. 2013, 42, 1530-1534

Angular Distortions at Benzylic Carbons due to Intra-molecular Polarization-Induced Metal-Arene Interactions: a Case Study with Open-Shell Cr(II) Complexes
Danopoulos, A. A.; Monakhov, K. Y.; Robert, V.; Braunstein, P.; Pattacini, R.; Conde-Guadano, S.;
Hanton, M.; Toozec, R. P.
Organometallics 2013, 32, 1842-1850

Spin Filtering in Molecular Junction: Magnetoresistance Evaluation from Wave-Function Calculations
Vérot, M.; Borshch, S. A.; Robert, V.
J. Chem. Phys. 2013, 138, 094105

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
Bandeira, N. A. G.; Maynau, D.; Robert, V.; Le Guennic, B.
Inorg. Chem. 2013, 52, 7980–7986

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
Shuku, Y.; Suizu, R.; Domingo, A.; Calzado, C. J.; Robert, V.; Awaga, K.
Inorg. Chem. 2013, 52, 9921–9930

Impact of Short and Long-Range Effects on the Magnetic Interactions in Neutral Organic Radical-Based Materials
Domingo, A.; Vérot, M.; Mota, F.; de Graaf, C.; Novoa, J. J.; Robert, V.
Phys. Chem. Chem. Phys. 2013, 15, 6982-6989

Top

Vacancy-Induced Deformation in a CoFe Prussian Blue Analogue A Theoretical Investigation
Krah, T.; Suaud, N.; Zanchet, A.; Robert, V.; Ben Amor, N.
Eur. J. Inorg. Chem. 2012, 5777-5783

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
Tommasino, J.B; Chastanet, G.; Le Guennic, B.; Robert, V.; Pilet, G.
N. J. Chem. 2012, 36, 2228-2235

Tailoring Antibacteria Agents: Sulfonamide-Based Dinuclear and 1D Polymer Cu(II) Complexes
Tommasino, J.B; Pilet, G.; Novitchi, G.; Robert, V.; D. Luneau
Polyhed. 2012, 37, 27-34

Three-Coordinate Iron(II) N-Heterocyclic Carbene Alkyl Complexes
Danopoulos, A. A.; Braustein, P.; Wesolek, M.; Monakhov, K. Y.; Rabu, P.; Robert, V.
Organometallics 2012, 31, 4102-4105

Seeking for the Hidden Magnetic Phenomena by Theoretical Means in a Thiooxoverdazyl Adduct
Vérot, M. ; Bréfuel, N. ; Pécaut, J. ; Train, C. ; Robert, V.
Chem-Asian J. 2012, 7, 380-386

Ab Initio Derivation of Multi-Orbital Extended Hubbard Model for Molecular Crystals
Tsuchiizu, M.; Y. Omori, Y.; Suzumura, Y.; Bonnet, M.-L.; Robert, V.
J. Chem. Phys. 2012, 136136, 044519

Hemicryptophane Host as Efficient Primary Alkylammonium Ion Receptor
Perraud, O.; Lefevre, S.; Robert, V., Martinez, A.; Dutasta, J.-P.
Org. Biomol. Chem. 2012, 160136, 1056-1059

Importance of a Multiconfigurational Description for Molecular Junctions Download
Vérot, M. ; Borshch S. A. ; Robert, V.
Chem. Phys. Lett. 2012, 519-520, 125-129

Gathering Cation-π and Anion-π Interactions for Zwitterions Recognition
Perraud; O. ; Robert, V.; Gornitzka, H.; Martinez, A.; Dutasta, J.-P.
Angew. Chem. Int. Ed. 2012, 51, 504-508

Excitonic Approach to the Charge Gap in 1D and Honeycomb Hubbard Systems
Kepenekian, M.; Robert, V.; Boileau, C.; Malrieu, J.-P.;
Phys. Chem. Chem. Phys. 2012, 14, 1381-1388

Crystal Structure, Spin Polarization, Solid-State Electrochemistry and High
n-Type Carrier Mobility of a Paramagnetic Semiconductor: Vanadyl Tetrakis(thiadiazole)porphyrazine
Miyoshi, Y.; Takahashi, K.; Fujimoto, T.; Yoshikawa, T.; Matsushita, M.; Ohuchi, Y.; Kepenekian, M.; Robert, V.;
Donzello, M.-P.; Ercolani, C.; Awaga, K.
Inorg. Chem. 2012, 51, 456-462

Top

Magnetic and Conduction Properties in 1D Organic Radical Materials: an ab initio Inspection for a Challenging Quest Download
Vérot, M. ; Rota, J. B. ; Kepenekian, M. ; Le Guennic, B. ; Robert, V.
Phys. Chem. Chem. Phys., 2011, 13, 6657–6661

Combined Experimental and Theoretical Studies on the Magnetic Properties of Manganese(II) Compounds with Mixed Isocyanate and Carboxylate Bridges
Ma, Y.; Bandeiera, N.; Robert, V.; Gao, E.-Q.
Chem. Eur. J., 2011, 17, 1988-1998

Cooperative Effect in Ion-Pairs Recognition by a Ditopic Hemicryptophane Host
Perraud, O.; Robert, V.; Martinez, A.; Dutasta, J.-P.
Chem. Eur. J., 2011, 17, 4177-4182

Spin Transition and Exchange Interaction : Janus Visions of Supramolecular Spin Coupling Between Face-to-Face Verdazyl Radicals
Norel, L.; Rota, J.-B.; Chamoreau, L.-M.; Pilet, G.; Robert, V.; Train, C.
Angew. Chem. Int. Ed., 2011, 123, 7266-7269

Coexistence of Intramolecular Ligand-Mediated and Through Hydrogen-Bond Magnetic Interactions in a Chain of Dicopper(II) Units
Sanchez Costa, J.; Bandeiera, N. A. G.; Le Guennic, B.; Robert, V.;
Gamez, P.; Chastanet, G.; Ortiz-Frade, L.; Gasque, L.
Inorg. Chem., 2011, 50, 5696-5705

A New Road Towards Redox Bistability Through the Inspection of Manganese Porphyrins
Kepenekian, M.; Vetere, V.; Calborean, A.; Le Guennic, B.; Maldivi, P.; Robert, V.
Chem. Eur. J., 2011, 17, 12045-12050

Towards Reliable DFT Investigations of Mn-Porphyrins Through CASPT2/DFT Comparison
Kepenekian, M.; Vetere, V.; Calborean, A.; Le Guennic, B.; Maldivi, P.; Robert, V.
J. Chem. Theo. Comput., 2011, 7, 3532-3539

Top

Coexistence of Two Intramolecular Electron Transfer Processes in the series of Complexes [MIII(Cat-N-BQ) (Cat-N-SQ)]/ [MII(Cat-N-BQ)2] (M=Co, Fe and Ni)
Bearing Non-Innocent Catechol-Based Ligands: a Combined Experimental and Theoretical Study
Evangeli, E.; Bonnet, M.-L.; Cabanas, M.; Motohiro, N.; Sutter, J.-P; Dei, A.; Robert, V.; Ruiz-Molina, D.
Chem. A. Eur. J.2010, 16, 6666-6677

Suppression of the Peierls instability in 1D system: Semi-local approach to Little’s conjecture Download
Grüber, R.; Kepenekian, M.; Robert, V.
Chemical Physics Letters 2010, 486, 40-43

Toward Verdazyl Radical-Based Materials: Ab Initio Inspection of Potential Organic Candidates for Spin-Crossover Phenomenon Download
Rota, J.-B.; Le Guennic, B.; Robert, V.
Inorganic Chemistry 2010, 49, 1230-1237

Controlling chirality in Atrane Structures: Solvent Dependent Chirality Sense in Hemicryptophane-Oxovanadium Complexes. Download
Martinez, A.; Robert, V. ; Gornitzka, H.; Dutasta, J.-P.
Chem. Eur. J. 2010, 16, 520-527

Optical Properties of a Donor-Acceptor-Substituted Hemi-Cruciform Catechol Derivative Download
Aronica, C.; Guérin, J.; Chauvin, J.; Robert, V.; Lemercier, G.
Journal of Photochemistry and Photobiology A : Chemistry, 2010, 211, 147-151

Microscopic Origins of the Ferromagnetic Exchange Coupling in Oxoverdazyl-Based Cu(II) Complex Download
Rota, J.-B.; Calzado, C. J.; Train, C.; Robert, V.
Journal of Chemical Physics, 2010, 132, 154702

Beyond Kahn's Model: Substituent and Heteroatom Influence on Exchange Interaction in a Metal-Verdazyl Complex
Oms, O.; Rota, J.-B.; Norel, L.; Calzado, C. J.; Rousselière, H.; Train, C.; Robert, V.
Eur. J. Inorg. Chem., 2010, 5373-5378

Intra-molecular Charge Ordering in the Multi-Molecular-Orbital System (TTM-TTP)I3
Bonnet, M.-L.; Robert, V.; Tsuchiizu, M.; Omori, Y.; Suzumura, Y.
J. Chem. Phys., 2010, 132, 214705

Multiorbital Molecular Compound (TTM-TTP)I3: Effective Model and Fragment Decomposition
Tsuchiizu, M.; Omori, Y.; Suzumura, Y.; Bonnet, M.-L.; Robert, V.; Ishibashi, S.; Seo, H.
J. Phys. Soc. Jpn., 2010, 80, 013703

Reliability and Storage Capacity : a Compromise Illustrated in the Two-Step Spin Crossover System [Fe(bapbpy)(NCS)2]
Kepenekian, M.; Costa, J. S.; Le Guennic, B.; Maldivi, P.; Bonnet, S.; Reedijk, J.; Gamez, P.; Robert, V.
Inorg. Chem., 2010, 49, 11057-11061

Top

What Zeroth-Order Hamiltonian for CASPT2 Adiabatic Energetics of Fe(II)N6 Architectures ? Download
Kepenekian, M.; Le Guennic, B.; Robert, V.
Journal of Chemical Physics 2009, 131, 114702

Primary Role of the Electrostatic Contributions in a Rational Growth of Hysteresis Loop in Spin-Crossover Fe(II) Complexes Download
Kepenekian, M.; Le Guennic, B.; Robert, V.
Journal of the American Chemical Society 2009, 131, 11498-11502.

Ligands Bonded to Metal Ion or Through-Metal Interacting Ligands? Analysis of Unusual Bonds Formation in the (BDTA)₂[Co(mnt)₂] Material Download
Kepenekian, M.; Le Guennic, B.; Awaga, K.; Robert, V.
Physical Chemistry Chemical Physics 2009, 11, 6066-6071

Competing Large and Small Angles in a Double End-On Azido Cu(II) Dinuclear Complex : a Combined Experimental and Theoretical Study of Magnetic Interactions Download
Jia, Q.-X.; Bonnet, M.-L.; E.-Q. Gao; Robert, V.
European Journal of Inorganic Chemistry 2009, 3008-3015

Magnetic Bistability: from Microscopic to Macroscopic Understandings of Hysteretic Behavior Using ab initio Calculations Download
Kepenekian, M.; Le Guennic, B.; Robert, V.
Physical Review B 2009, 79, 094428

Adressing Through-H Magnetic Interactions: A Comprehensive Analysis of Such Efficient Coupler Download
Le Guennic, B.; Ben Amor, N.; Maynau, D.; Robert, V.
Journal of Chemical Theory and Computation 2009, 5, 1506-1510

Energetics of [Fe(NCH)₆]²⁺ via CASPT2 Calculations: a Spin-Crossover Perspective Download
Kepenekian, M.; Le Guennic, B.; de Graaf, C.; Robert, V.
Journal of Computational Chemistry 2009, 30, 2327-2333.

A Rational Design of Catechol-based Compounds: Experimental and Theoretical Study of Optical Properties Download
Aronica, C.; Venancio-Marques, A.; Chauvin, J.; Robert, V.; Lemercier, G.
Chemistry- A European Journal 2009, 15, 5047-5055.

Top

Nonheme FeIVO Models : Ab Initio Analysis of the Low-Energy Spin State Electronic Structures Download
Banse, F.; Girerd, J.-J.; Robert, V.;
European Journal of Inorganic Chemistry 2008, 4786-4791.

Ab Initio Study of Intriguing Coordination Complexes : A Metal Field Theory Picture Download
Guihéry, N.; Robert, V.; Neese, F.
Journal of Physical Chemistry A 2008, 112, 12975-12979.

Inspection of the Duality of a Verdazyl-Based Radical in Transition Metal Complexes: A π* Donor Ligand and a Magnetic Partner Download
Partner Rota, J.B.; Norel, L.; Train, C.; Ben Amor, N.; Maynau, D.; Robert, V.
Journal of the American Chemical Society 2008, 130, 10380-10385.

Tuning Magnetic Exchange Using the Versatile Azide Ligand Download
Chastanet, G.; Le Guennic, B.; Aronica, C.; Pilet, G.; Luneau, D.; Bonnet, M.-L.; Robert, V.
Inorganica Chimica Acta 2008, 361, 3847-3855.

From Magnetic Molecules to Magnetic Solids: an ab initio Expertise Download Le Guennic, B.; Robert, V. Comptes Rendus Chimie 2008, 11, 650-664.

Nickel(II) Chain with alternating End-On/End-to-End Single Aziod-Bridges : A Combined Structural, Magnetic, and Theoretical Study http://dx.doi.org/10.1021/ic702012r- Downlaod
Bonnet M.-L.; Aronica C.; Chastanet G.; Pilet G.; Luneau D.; Mathonière C.; Clérac R.; Robert, V.
Inorganic Chemistry 2008, 47, 1127-1133.

Antiferromagnetic Behavior Based on Quasi-Orthogonal MOs: an ab initio Analysis of a Synthetic Trinuclear Cu3 Oxidase Model Download
Le Guennic, B.; Petit, S.; Chastanet, G.; Pilet, G.; Luneau, D.; Ben Amor, N.; Robert, V.
Inorganic Chemistry 2008, 47, 572-577.

Top

Prussian Blue Analogue CsFe[Cr(CN)₆] as a Matrix for the Fe(II) Spin-Crossover Download
Le Guennic, B. ; Borshch, S. A. ; Robert, V.
Inorganic Chemistry, 2007, 46, 11106-11111.

Shearing-Like Distortion in Binuclear End-to-End CuII Azido Compounds: An Ab Initio Study of the Magnetic Interactions Download
Carvajal, M. A.; Aronica, C.; Luneau, D.; Robert, V.
European Journal of Inorganic Chemistry, 2007, 4434-4437.

Cubane Variations: Syntheses, Structures, and Magnetic Property Analyses of Lanthanide(III)-Copper(II) Architectures with Controlled Nuclearities Download
Aronica, C.; Chastanet, G.; Pilet, G.; Le Guennic, B.; Robert, V.; Wernsdorfer, W.; Luneau, D.
Inorganic Chemistry 2007, 46 (15), 6108-6119.

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 Download
Aronica, C.; Jeanneau, E.; El Moll, H.; Luneau, D.; Gillon, B.; Goujon, A.; Cousson, A.; Carvajal, M. A.; Robert, V.
Chemistry - A European Journal 2007, 13 (13), 3666-3674.

Unusual Bond Formation in Aspartic Protease Inhibitors: a Theoretical Study Download
Pilme, J.; Berthoumieux, H.; Robert, V.; Fleurat-Lessard, P.
Chemistry - A European Journal 2007, 13 (19), 5388-5393, S5388/1-S5388/8.

Top

Characterizations and Physical Studies of Cyclic Octanuclear Mixed Valence V(IV,V) Clusters with Polyoxometalates Counter-ions Download
Lisnard, L.; Dolbecq, A. ; Marrot, J.; Rivière, E.; Borshch, S. A.; Petit, S.; Robert, V.; Duboc, C.; McCormac T.; Sécheresse F.
Dalton Transactions 2006, 43, 5141-5148.

A Combined Experimental and Theoretical Study of Carboxylate Coordination Modes: A Structural Probe Download
Robert, V.; Lemercier, G.
Journal of the American Chemical Society 2006, 128 (4), 1183-1187.

Correlated ab initio Study of the Excited State of the Iron-Coordinated-Mode Noninnocent Glyoxalbis Mercaptoanil) ligand Download
Messaoudi, S.; Robert, V.; Guihery, N.; Maynau, D.
Inorganic Chemistry 2006, 45 (8), 3212-3216.

Predicting ³¹P NMR spectra: a Tool to Clarify Magnetic Exchange Pathways in Oxovanadium d1 Phosphate Download
Hairie, T.; Robert, V.; Petit, S.
Physical Review B 2006, 74 (5), 052408/1-052408/4.

Top

A Modified Coupled-Cluster-Based Investigation of Delocalization in Tight-Binding Hamiltonians Download
Boullanger, A.; Robert, V.
Europhysics Letters 2005, 69(6), 906-912.

Evaluation of the Aromatic Contribution to the Energy of Periodic Lattices Download
Malrieu, J.-P.; Robert, V.
Journal of Physical Organic Chemistry 2005, 19 (1), 10-17.

Top

Exchange Interactions and Theoretical Analysis of ³¹P-NMR Spectra in VO(HPO₄)_0.5H₂O Download
Petit, S.; Borshch, S. A.; Robert, V.
Inorganic Chemistry 2004, 43, 4210-4215.

A Vibronic Approach to the Band-Filling and Temperature-Dependent Metal-Insulator Transition Download
Robert, V.
Journal of Chemical Physics 2004, 121, 4297-4301.

A Local Approach to Delocalized Electronic Systems. Semi-local Evaluation of the Cohesive Energies of Tight-Binding Hamiltonians Download
Malrieu, J.-P.; Robert, V.
Journal of Chemical Physics 2004, 120, 7374-7382.

Relative Importance of Local and Collective Effects in the Distortivity of One-Dimensional Chains Download
Robert, V.; Malrieu, J.-P.
Journal of Chemical Physics 2004, 120, 8853-8861.

Top

From Hartree-Fock to Electron Correlation: Application to Magnetic Systems Download
Robert, V.; Kepenekian, M.; Rota, J.-B.; Bonnet, M.-L.; Le Guennic, B.
Computational Methods in Catalysis and Materials Science van Santen, R. A. & Sautet, P., Eds.; Wiley-VCH: Weinheim 2009

Fundamentals, principles and concepts of Molecular Magnetism and Spintronics
Verdaguer, M.; Robert, V.
Comprehensive Inorganic Chemistry, Volume 8., Chapter 8.04, Elsevier, Amsterdam, 2013, 131-189

Top