Search Results - "Geskin, V"

Depolarization Effects in Self-Assembled Monolayers: A Quantum-Chemical Insight by Cornil, D., Olivier, Y., Geskin, V., Cornil, J.

“…Many recent experimental studies have demonstrated that the deposition of a self‐assembled monolayer (SAM) made of polar molecules on a metal surface can…”
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Impact of the Computational Method on the Geometric and Electronic Properties of Oligo(phenylene vinylene) Radical Cations by Geskin, V. M, Grozema, F. C, Siebbeles, L. D. A, Beljonne, D, Brédas, J. L, Cornil, J

“…We report on a quantum-chemical study of the electronic and optical properties of unsubstituted oligo(phenylene vinylene) (OPV) radical cations. Our goal is to…”
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Oligothiophene radical cations: Polaron structure in hybrid DFT and MP2 calculations by Geskin, V. M., Dkhissi, A., Brédas, J. L.

“…We investigate the geometric and electronic structure of radical cations in oligothiophene chains by performing hybrid DFT (BHandHLYP) calculations on chains…”
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Full Electrochemical Synthesis of Conducting Polymer Films Chemically Grafted to Conducting Surfaces by Labaye, D. E, Jérôme, C, Geskin, V. M, Louette, P, Lazzaroni, R, Martinot, L, Jérôme, R

“…This paper reports on the full electrochemical synthesis of electrically conducting polymers chemically grafted to conducting surfaces (e.g., glassy carbon,…”
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Branched Substituents Generate Improved Supramolecular Ordering in Physisorbed Molecular Assemblies by Vonau, F, Linares, M, Isare, B, Aubel, D, Habar, M, Bouteiller, L, Reiter, G, Geskin, V, Zerbetto, F, Lazzaroni, R, Simon, L

“…We present an experimental study supported by molecular simulations of the influence of the shape of alkyl side groups on the interactions and…”
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Polymer Coating of Steel by a Combination of Electrografting and Atom-Transfer Radical Polymerization by Claes, M, Voccia, S, Detrembleur, C, Jérôme, C, Gilbert, B, Leclère, Ph, Geskin, V. M, Gouttebaron, R, Hecq, M, Lazzaroni, R, Jérôme, R

“…Cathodic electrografting of poly(2-chloropropionate ethyl acrylate) (poly[cPEA]) onto steel followed by the styrene grafting-from by atom transfer radical…”
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Formation of Nanostructured Polymer Surfaces from Combined Relaxation and Crystallization by Coppée, S, Geskin, V. M, Lazzaroni, R, Damman, P

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Influence of Surface Roughness on Wetting Dynamics by Semal, S, Blake, T. D, Geskin, V, de Ruijter, M. J, Castelein, G, De Coninck, J

“…Using the molecular-kinetic theory of wetting, we analyze the dynamic contact angle of a sessile drop of squalane spreading spontaneously on Langmuir−Blodgett…”
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Micro-Raman spectroscopy study of surface transformations induced by excimer laser irradiation of TiO2 by ROBERT, Toussaint D, LAUDE, Lucien D, GESKIN, Viktor M, LAZZARONI, Roberto, GOUTTEBARON, Rachel

“…Pressed disks of TiO2 powder particles (~1 *mm in size) have been irradiated with a pulsed KrF (248 nm) excimer laser source at fluences between 0.1 and 1…”
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Outer-Surface-Induced Crystallization of Semirigid Polymer Films by Damman, P, Zolotukhin, M. G, Geskin, V. M, Lazzaroni, R

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Understanding the initial stages of polymer grafting on metals: a photoelectron spectroscopy study of acrylonitrile adsorption on transition metal surfaces by Crispin, X, Lazzaroni, R, Crispin, A, Geskin, V.M, Brédas, J.L, Salaneck, W.R

“…X-ray and UV photoelectron spectroscopies show that acrylonitrile is chemisorbed on iron, nickel and copper polycrystalline surfaces via the carbon and…”
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Controlling the Electrografting of Polymers onto Transition Metal Surfaces through Solvent vs Monomer Adsorption by Crispin, X, Lazzaroni, R, Geskin, V, Baute, N, Dubois, P, Jérôme, R, Brédas, J. L

“…Electropolymerization of methacrylic monomers opens the possibility of chemically grafting a wide range of polymers onto transition metal surfaces. In this…”
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Comment on ‘Polaron formation and symmetry breaking’ by L. Zuppiroli et al. [Chem. Phys. Lett. 374 (2003) 7] by Geskin, V.M., Cornil, J., Brédas, J.L.

“…L. Zuppiroli et al. [Chem. Phys. Lett. 374 (2003) 7] have theoretically studied polaron formation in oligo(phenylene vinylene) radical ions. In particular,…”
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Interpretation of finite-field molecular cubic polarizability via real-space contributions: application to π-conjugated oligomers by Geskin, V.M, Brédas, J.L

“…A partitioning scheme for the molecular cubic polarizability γ in terms of local atomic contributions is further developed and applied to long organic…”
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Full-Electrochemical Preparation of Conducting/Insulating Binary Polymer Films by Jérôme, C, Geskin, V, Lazzaroni, R, Brédas, J. L, Thibaut, A, Calberg, C, Bodart, I, Mertens, M, Martinot, L, Rodrigue, D, Riga, J, Jérôme, R

“…Binary polymer films consisting of an insulating polymer and a conducting polymer have been successfully prepared by sequential electropolymerization of the…”
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Geometric and electronic structure of zwitterionic push-pull polyenes for nonlinear optics by Geskin, V. M., Bredas, J. L.

“…We present a study of the chemical structure of highly polar push–pull conjugated molecules of interest for nonlinear optics, in which purely inductive…”
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Theoretical investigation of the origin of the large non-linear optical response in acceptor-substituted carotenoids by Geskin, V.M, Balakina, M.Yu, Li, J, Marder, S.R, Brédas, J.L

“…Correlated semiempirical quantum-chemical calculations are performed to rationalize the origin of the large first- ( α), second- ( β), and third- ( γ) order…”
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Study of the bromination of pitch-based carbon fibres by Klimenko, I.V., Zhuravleva, T.S., Geskin, V.M., Jawhary, T.

“…The changes in the structure and properties of pitch-based carbon fibres (CF) brominated for different periods of time (up to 144 h) and the state of bromine…”
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A local view on cubic polarizability: Application to π-conjugated molecules by Geskin, V.M., Brédas, J.L.

“…We present a partitioning scheme for the molecular third-order polarizability y, in terms of local atomic contributions. These contributions allow a pictorial…”
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Multideterminant assessment of mean-field methods for the description of electron transfer in the weak-coupling regime by Geskin, V., Stadler, R., Cornil, J.

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