Towards new efficient dye-sensitised solar cells von Preat, Julien, Jacquemin, Denis, Perpète, Eric A

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Accurate Simulation of Optical Properties in Dyes von Jacquemin, Denis, Perpète, Eric A, Ciofini, Ilaria, Adamo, Carlo

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Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules von Jacquemin, Denis, Wathelet, Valérie, Perpète, Eric A, Adamo, Carlo

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Assessment of Functionals for TD-DFT Calculations of Singlet−Triplet Transitions von Jacquemin, Denis, Perpète, Eric A, Ciofini, Ilaria, Adamo, Carlo

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A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects von Etienne, Thibaud, Very, Thibaut, Perpète, Eric A, Monari, Antonio, Assfeld, Xavier

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Enhanced Efficiency of Organic Dye-Sensitized Solar Cells: Triphenylamine Derivatives von Preat, Julien, Michaux, Catherine, Jacquemin, Denis, Perpète, Eric A

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On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies von Jacquemin, Denis, Perpète, Eric A., Ciofini, Ilaria, Adamo, Carlo, Valero, Rosendo, Zhao, Yan, Truhlar, Donald G.

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TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range Hybrids von Jacquemin, Denis, Perpète, Eric A, Scuseria, Gustavo E, Ciofini, Ilaria, Adamo, Carlo

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Investigation of the photoinduced electron injection processes for p-type triphenylamine-sensitized solar cells von Preat, Julien, Hagfeldt, Anders, Perpete, Eric A

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Assessment of the efficiency of long-range corrected functionals for some properties of large compounds von Jacquemin, Denis, Perpète, Eric A, Scalmani, Giovanni, Frisch, Michael J, Kobayashi, Rika, Adamo, Carlo

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Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties von Duchanois, Thibaut, Etienne, Thibaud, Beley, Marc, Assfeld, Xavier, Perpète, Eric A., Monari, Antonio, Gros, Philippe C.

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Thioindigo Dyes:  Highly Accurate Visible Spectra with TD-DFT von Jacquemin, Denis, Preat, Julien, Wathelet, Valérie, Fontaine, Michèle, Perpète, Eric A

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Refolding and biophysical characterization of the Caulobacter crescentus copper resistance protein, PcoB: An outer membrane protein containing an intrinsically disordered domain von Hennaux, Laurelenn, Kohchtali, Amira, Bâlon, Hugo, Matroule, Jean-Yves, Michaux, Catherine, Perpète, Eric A.

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Structural characterisation of amyloidogenic intrinsically disordered zinc finger protein isoforms DPF3b and DPF3a von Mignon, Julien, Mottet, Denis, Leyder, Tanguy, Uversky, Vladimir N., Perpète, Eric A., Michaux, Catherine

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Theoretical computation of Betain B30 solvatochromism using a Polarizable Continuum Model von Etienne, Thibaud, Michaux, Catherine, Monari, Antonio, Assfeld, Xavier, Perpète, Eric A.

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DHX15-independent roles for TFIP11 in U6 snRNA modification, U4/U6.U5 tri-snRNP assembly and pre-mRNA splicing fidelity von Duchemin, Amandine, O’Grady, Tina, Hanache, Sarah, Mereau, Agnès, Thiry, Marc, Wacheul, Ludivine, Michaux, Catherine, Perpète, Eric, Hervouet, Eric, Peixoto, Paul, Ernst, Felix G. M., Audic, Yann, Dequiedt, Franck, Lafontaine, Denis L. J., Mottet, Denis

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Fast and Reliable Theoretical Determination of pK a for Photoacids von Jacquemin, Denis, Perpète, Eric A, Ciofini, Ilaria, Adamo, Carlo

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Self-standing, conducting and capacitive biomimetic hybrid nanomembranes for selective molecular ion separation von Puiggalí-Jou, Anna, Molina, Brenda G, Lopes-Rodrigues, Maximilien, Michaux, Catherine, Perpète, Eric A, Zanuy, David, Alemán, Carlos

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Assessment of the ωB97 family for excited-state calculations von Jacquemin, Denis, Perpète, Eric A., Ciofini, Ilaria, Adamo, Carlo

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All-organic chromophores for dye-sensitized solar cells: A theoretical study on aggregation von Etienne, Thibaud, Chbibi, Laurent, Michaux, Catherine, Perpète, Eric A., Assfeld, Xavier, Monari, Antonio

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