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	hal-00003423v1 Journal articles Jean-Louis Heully, Yannick Carissan, Nathalie Guihéry, Fabienne Alary. A study of the correlation effects upon the modelization of the double exchange phenomenon Journal of Chemical Physics, American Institute of Physics, 2004, 121, pp.9453. ⟨10.1063/1.1806415⟩
	hal-01666592v1 Journal articles Juan Sanz Garcia, Francesco Talotta, Fabienne Alary, Isabelle Dixon, Jean-Louis Heully et al. A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes Molecules, MDPI, 2017, 22 (10), pp.1667. ⟨10.3390/molecules22101667⟩
	hal-00832898v1 Journal articles Adrien Göttle, Isabelle Dixon, Fabienne Alary, Jean-Louis Heully, Martial Boggio-Pasqua. Adiabatic versus nonadiabatic photoisomerization in photochromic ruthenium sulfoxide complexes: a mechanistic picture from density functional theory calculations. Journal of the American Chemical Society, American Chemical Society, 2011, 133 (24), pp.9172-4. ⟨10.1021/ja201625b⟩
	hal-01447610v1 Journal articles Yannick Carissan, Jean-Louis Heully, Fabienne Alary, Jean-Pierre Daudey. Calculation of the Ground and Excited States of a Mixed Valence Compound [Fe 2 (OH) 3 (NH 3 ) 6 ] 2+ : A Class II or Class III Compound? Inorganic Chemistry, American Chemical Society, 2004, 43 (4), pp.1411 - 1420. ⟨10.1021/ic034716h⟩
	hal-00832349v1 Journal articles Emilie Lebon, Stéphanie Bastin, Pierre Sutra, Laure Vendier, Rémi Piau et al. Can a functionalized phosphine ligand promote room temperature luminescence of the [Ru(bpy)(tpy)]2+ core? Chemical Communications, Royal Society of Chemistry, 2012, 48 (5), pp.741-3. ⟨10.1039/c1cc15737j⟩
	hal-00952085v1 Journal articles Mickaël Gicquel, Jean-Louis Heully, Christine Lepetit, Remi Chauvin. Carbo-[3]oxocarbon and its isomers: evaluation of the stability and of the electron delocalization Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2008, 10, pp.3578-3589. ⟨10.1039/B718817J⟩
	hal-00984302v1 Journal articles D. Hernandez-Maldonado, B. Ramos, Christina Villeneuve-Faure, Eléna Bedel-Pereira, Isabelle Séguy et al. Chain ordering of regioregular polythiophene films through blending with a nickel bisdithiolene complex Applied Physics Letters, American Institute of Physics, 2014, 104 (10), pp.103302. ⟨10.1063/1.4868106⟩
	hal-01343979v1 Conference papers Léa Farouil, Fabienne Alary, Eléna Bedel-Pereira, Isabelle Séguy, Julien Roul et al. Combined theoretical and experimental studies of P3HT and PTB7 polymers for organic photodiodes 11th IEEE Nanotechnology Materials and Devices Conference (NMDC 2016), Oct 2016, Toulouse, France
	hal-01331155v1 Journal articles Isabelle Dixon, Gauthier Boissard, Hannah Whyte, Fabienne Alary, Jean-Louis Heully. Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes Inorganic Chemistry, American Chemical Society, 2016, 55 (11), pp.5089-5091. ⟨10.1021/acs.inorgchem.6b00223⟩
	hal-00975819v1 Journal articles Christine Lepetit, Henry Chermette, Mickaël Gicquel, Jean-Louis Heully, Remi Chauvin. Description of Carbo-oxocarbons and Assessment of Exchange-Correlation Functionals for the DFT Description of Carbo-mers Journal of Physical Chemistry A, American Chemical Society, 2007, 111 (11), pp.136-149. ⟨10.1021/jp064066d⟩
	hal-01741478v1 Journal articles Adrien Soupart, Isabelle Dixon, Fabienne Alary, Jean-Louis Heully. DFT rationalization of the room-temperature luminescence properties of Ru(bpy) 3 2+ and Ru(tpy) 2 2+ : 3MLCT–3MC minimum energy path from NEB calculations and emission spectra from VRES calculations Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2018, 137 (37), 11 p. ⟨10.1007/s00214-018-2216-1⟩
	hal-00952074v1 Journal articles Jean-Paul Malrieu, Mickaël Gicquel, Paul Fowler, Christine Lepetit, Jean-Louis Heully et al. Direct Evaluation of Cyclic Contributions to the pi Energy of Conjugated Hydrocarbons from Strongly Localized Zero-Order Pictures Journal of Physical Chemistry A, American Chemical Society, 2008, 112 (50), pp.13203-13214. ⟨10.1021/jp802839n⟩
	hal-01442316v1 Journal articles Fabienne Bessac, Fabienne Alary, Yannick Carissan, Jean-Louis Heully, Jean-Pierre Daudey et al. Effective group potentials: a powerful tool for hybrid QM/MM methods? Journal of Molecular Structure: THEOCHEM, Elsevier, 2003, 632 (1-3), pp.43 - 59. ⟨10.1016/S0166-1280(03)00287-2⟩
	hal-00832884v1 Journal articles Isabelle Dixon, Fabienne Alary, Jean-Louis Heully. Electronic peculiarities of the excited states of [RuN5C]+ vs. [RuN6]2+ polypyridine complexes: insight from theory. Dalton Transactions, Royal Society of Chemistry, 2010, 39 (45), pp.10959-66. ⟨10.1039/c0dt00563k⟩
	hal-01213836v1 Journal articles Juan Sanz Garcia, Fabienne Alary, Martial Boggio-Pasqua, Isabelle Dixon, Isabelle Malfant et al. Establishing the Two-Photon Linkage Isomerization Mechanism in the Nitrosyl Complex trans-[RuCl(NO)(py)4]2+ by DFT and TDDFT Inorganic Chemistry, American Chemical Society, 2015, 54 (17), pp.8310-8318. ⟨10.1021/acs.inorgchem.5b00998⟩
	hal-00975767v1 Journal articles Jean-Paul Malrieu, Christine Lepetit, Mickaël Gicquel, Jean-Louis Heully, Patrick Fowler et al. Evaluating the cyclic π-electron delocalization energy through a double cut of conjugated rings New Journal of Chemistry, Royal Society of Chemistry, 2007, 31, pp.1918-1927. ⟨10.1039/B710550A⟩
	hal-00835132v1 Journal articles Jean-Louis Heully, Jean-Paul Malrieu. Exploiting the flexibility of intermediate effective Hamiltonians Chemical Physics, Elsevier, 2009, 356 (1-3), pp.76-85. ⟨10.1016/j.chemphys.2008.09.012⟩
	hal-01741450v1 Journal articles Adrien Soupart, Fabienne Alary, Jean-Louis Heully, Elliott Paul, Isabelle Dixon. Exploration of Uncharted 3PES Territory for [Ru(bpy)3]2+: A New 3MC Minimum Prone to Ligand Loss Photochemistry Inorganic Chemistry, American Chemical Society, 2018, 57, 6, pp.3192-3196. ⟨10.1021/acs.inorgchem.7b03229⟩
	hal-01529346v1 Journal articles Nathalie Tarrat, Mathias Rapacioli, Jérôme Cuny, Joseph Morillo, Jean-Louis Heully et al. Global optimization of neutral and charged 20- and 55-atom silver and gold clusters at the DFTB level Computational and Theoretical Chemistry, Elsevier, 2017, 1107, pp.102-114. ⟨10.1016/j.comptc.2017.01.022⟩
	hal-01396525v1 Journal articles Juan Sanz Garcia, Fabienne Alary, Martial Boggio-Pasqua, Isabelle Dixon, Jean-Louis Heully. Is photoisomerization required for NO photorelease in ruthenium nitrosyl complexes? Journal of Molecular Modeling, Springer Verlag (Germany), 2016, 22 (11), pp.284. ⟨10.1007/s00894-016-3138-2⟩
	hal-00941075v1 Journal articles Fabienne Alary, Jean-Louis Heully, L. Bijeire, Patricia Vicendo. Is the 3MLCT the only photoreactive state of polypyridyl complexes? Inorganic Chemistry, American Chemical Society, 2007, 46 (8), pp.3154-3165. ⟨10.1021/ic062193i⟩
	hal-00941081v1 Journal articles Martial Boggio-Pasqua, Patricia Vicendo, Mohamed Oubal, Fabienne Alary, Jean-Louis Heully. Ligand Selection in Ru-II Complexes for Direct One-Electron Photooxidation of Guanine: A Combined Computational and Experimental Study Chemistry - A European Journal, Wiley-VCH Verlag, 2009, 15 (12), pp.2759-2762. ⟨10.1002/chem.200802520⟩
	hal-01684087v1 Journal articles Francesco Talotta, Jean-Louis Heully, Fabienne Alary, Isabelle Dixon, Leticia González et al. Linkage Photoisomerization Mechanism in a Photochromic Ruthenium Nitrosyl Complex: New Insights from an MS-CASPT2 Study Journal of Chemical Theory and Computation, American Chemical Society, 2017, 13 (12), pp.6120-6130. ⟨10.1021/acs.jctc.7b00982⟩
	jpa-00248144v1 Journal articles Jean-Louis Heully, Stefano Evangelisti, Philippe Durand. On Some Attempts to Generalize the Effective Hamiltonian Approach Journal de Physique II, EDP Sciences, 1995, 5 (1), pp.63-74. ⟨10.1051/jp2:1995100⟩
	hal-02490295v1 Journal articles Adrien Soupart, Fabienne Alary, Jean-Louis Heully, Isabelle Dixon. On the Possible Coordination on a 3MC State Itself? Mechanistic Investigation Using DFT-Based Methods Inorganics, MDPI AG, 2020, 8 (2), pp.15. ⟨10.3390/inorganics8020015⟩
	hal-00981418v1 Journal articles Emilie Lebon, Remy Sylvain, Rémi Piau, Cloé Lanthony, Julien Pilmé et al. Phosphoryl Group as a Strong σ-Donor Anionic Phosphine-Type Ligand: A Combined Experimental and Theoretical Study on Long-Lived Room Temperature Luminescence of the [Ru(tpy)(bpy)(Ph2PO)]+ Complex Inorganic Chemistry, American Chemical Society, 2014, 53 (4), pp.1946-1948. ⟨10.1021/ic4028496⟩
	hal-00834727v1 Journal articles Rémi Piau, Thomas Guillon, Emilie Lebon, Nicolas Perrot, Fabienne Alary et al. Photophysical and electrochemical properties of polypyridine imine ruthenium(II) complexes: a comparative experimental and theoretical study New Journal of Chemistry, Royal Society of Chemistry, 2012, 36 (12), pp.2484-2492. ⟨10.1039/C2NJ40353F⟩
	hal-01327047v1 Journal articles Adrien Göttle, Fabienne Alary, Martial Boggio-Pasqua, Isabelle Dixon, Jean-Louis Heully et al. Pivotal Role of a Pentacoordinate 3MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study Inorganic Chemistry, American Chemical Society, 2016, 55 (9), pp.4448-4456. ⟨10.1021/acs.inorgchem.6b00268⟩
	hal-01081297v1 Journal articles Isabelle Dixon, Shehryar Khan, Fabienne Alary, Martial Boggio-Pasqua, Jean-Louis Heully. Probing the photophysical capability of mono and bis(cyclometallated) Fe(II) polypyridine complexes using inexpensive ground state DFT Dalton Transactions, Royal Society of Chemistry, 2014, 43 (42), pp.15898-15905. ⟨10.1039/c4dt01939c⟩
	hal-01691911v1 Conference papers Léa Farouil, Fabienne Alary, Eléna Bedel-Pereira, Isabelle Séguy, Jean-Louis Heully. Propriétés structurelles et photophysiques du 3- hexylthiophène (P3HT) : études expérimentale et théorique combinées TouCAM 2017 2 ème édition des Journées Toulousaines du Calcul Atomique et Moléculaire, Nov 2017, Toulouse, France
	1 2 Suivant Dernière	Relevance Author A→Z Author Z→A Title A→Z Title Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante 30 results per page 50 results per page 100 results per page o Export XML-TEI BibTeX EndNote CSV PDF RTF Advanced export... Syndicated feeds RSS ATOM

hal-00003423v1 Journal articles
Jean-Louis Heully, Yannick Carissan, Nathalie Guihéry, Fabienne Alary. A study of the correlation effects upon the modelization of the double exchange phenomenon
Journal of Chemical Physics, American Institute of Physics, 2004, 121, pp.9453. ⟨10.1063/1.1806415⟩

hal-01666592v1 Journal articles
Juan Sanz Garcia, Francesco Talotta, Fabienne Alary, Isabelle Dixon, Jean-Louis Heully et al. A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes
Molecules, MDPI, 2017, 22 (10), pp.1667. ⟨10.3390/molecules22101667⟩

hal-00832898v1 Journal articles
Adrien Göttle, Isabelle Dixon, Fabienne Alary, Jean-Louis Heully, Martial Boggio-Pasqua. Adiabatic versus nonadiabatic photoisomerization in photochromic ruthenium sulfoxide complexes: a mechanistic picture from density functional theory calculations.
Journal of the American Chemical Society, American Chemical Society, 2011, 133 (24), pp.9172-4. ⟨10.1021/ja201625b⟩

hal-01447610v1 Journal articles
Yannick Carissan, Jean-Louis Heully, Fabienne Alary, Jean-Pierre Daudey. Calculation of the Ground and Excited States of a Mixed Valence Compound [Fe 2 (OH) 3 (NH 3 ) 6 ] 2+ : A Class II or Class III Compound?
Inorganic Chemistry, American Chemical Society, 2004, 43 (4), pp.1411 - 1420. ⟨10.1021/ic034716h⟩

hal-00832349v1 Journal articles
Emilie Lebon, Stéphanie Bastin, Pierre Sutra, Laure Vendier, Rémi Piau et al. Can a functionalized phosphine ligand promote room temperature luminescence of the [Ru(bpy)(tpy)]2+ core?
Chemical Communications, Royal Society of Chemistry, 2012, 48 (5), pp.741-3. ⟨10.1039/c1cc15737j⟩

hal-00952085v1 Journal articles
Mickaël Gicquel, Jean-Louis Heully, Christine Lepetit, Remi Chauvin. Carbo-[3]oxocarbon and its isomers: evaluation of the stability and of the electron delocalization
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2008, 10, pp.3578-3589. ⟨10.1039/B718817J⟩

hal-00984302v1 Journal articles
D. Hernandez-Maldonado, B. Ramos, Christina Villeneuve-Faure, Eléna Bedel-Pereira, Isabelle Séguy et al. Chain ordering of regioregular polythiophene films through blending with a nickel bisdithiolene complex
Applied Physics Letters, American Institute of Physics, 2014, 104 (10), pp.103302. ⟨10.1063/1.4868106⟩

hal-01343979v1 Conference papers
Léa Farouil, Fabienne Alary, Eléna Bedel-Pereira, Isabelle Séguy, Julien Roul et al. Combined theoretical and experimental studies of P3HT and PTB7 polymers for organic photodiodes
11th IEEE Nanotechnology Materials and Devices Conference (NMDC 2016), Oct 2016, Toulouse, France

hal-01331155v1 Journal articles
Isabelle Dixon, Gauthier Boissard, Hannah Whyte, Fabienne Alary, Jean-Louis Heully. Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes
Inorganic Chemistry, American Chemical Society, 2016, 55 (11), pp.5089-5091. ⟨10.1021/acs.inorgchem.6b00223⟩

hal-00975819v1 Journal articles
Christine Lepetit, Henry Chermette, Mickaël Gicquel, Jean-Louis Heully, Remi Chauvin. Description of Carbo-oxocarbons and Assessment of Exchange-Correlation Functionals for the DFT Description of Carbo-mers
Journal of Physical Chemistry A, American Chemical Society, 2007, 111 (11), pp.136-149. ⟨10.1021/jp064066d⟩

hal-01741478v1 Journal articles
Adrien Soupart, Isabelle Dixon, Fabienne Alary, Jean-Louis Heully. DFT rationalization of the room-temperature luminescence properties of Ru(bpy) 3 2+ and Ru(tpy) 2 2+ : 3MLCT–3MC minimum energy path from NEB calculations and emission spectra from VRES calculations
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2018, 137 (37), 11 p. ⟨10.1007/s00214-018-2216-1⟩

hal-00952074v1 Journal articles
Jean-Paul Malrieu, Mickaël Gicquel, Paul Fowler, Christine Lepetit, Jean-Louis Heully et al. Direct Evaluation of Cyclic Contributions to the pi Energy of Conjugated Hydrocarbons from Strongly Localized Zero-Order Pictures
Journal of Physical Chemistry A, American Chemical Society, 2008, 112 (50), pp.13203-13214. ⟨10.1021/jp802839n⟩

hal-01442316v1 Journal articles
Fabienne Bessac, Fabienne Alary, Yannick Carissan, Jean-Louis Heully, Jean-Pierre Daudey et al. Effective group potentials: a powerful tool for hybrid QM/MM methods?
Journal of Molecular Structure: THEOCHEM, Elsevier, 2003, 632 (1-3), pp.43 - 59. ⟨10.1016/S0166-1280(03)00287-2⟩

hal-00832884v1 Journal articles
Isabelle Dixon, Fabienne Alary, Jean-Louis Heully. Electronic peculiarities of the excited states of [RuN5C]+ vs. [RuN6]2+ polypyridine complexes: insight from theory.
Dalton Transactions, Royal Society of Chemistry, 2010, 39 (45), pp.10959-66. ⟨10.1039/c0dt00563k⟩

hal-01213836v1 Journal articles
Juan Sanz Garcia, Fabienne Alary, Martial Boggio-Pasqua, Isabelle Dixon, Isabelle Malfant et al. Establishing the Two-Photon Linkage Isomerization Mechanism in the Nitrosyl Complex trans-[RuCl(NO)(py)4]2+ by DFT and TDDFT
Inorganic Chemistry, American Chemical Society, 2015, 54 (17), pp.8310-8318. ⟨10.1021/acs.inorgchem.5b00998⟩

hal-00975767v1 Journal articles
Jean-Paul Malrieu, Christine Lepetit, Mickaël Gicquel, Jean-Louis Heully, Patrick Fowler et al. Evaluating the cyclic π-electron delocalization energy through a double cut of conjugated rings
New Journal of Chemistry, Royal Society of Chemistry, 2007, 31, pp.1918-1927. ⟨10.1039/B710550A⟩

hal-00835132v1 Journal articles
Jean-Louis Heully, Jean-Paul Malrieu. Exploiting the flexibility of intermediate effective Hamiltonians
Chemical Physics, Elsevier, 2009, 356 (1-3), pp.76-85. ⟨10.1016/j.chemphys.2008.09.012⟩

hal-01741450v1 Journal articles
Adrien Soupart, Fabienne Alary, Jean-Louis Heully, Elliott Paul, Isabelle Dixon. Exploration of Uncharted 3PES Territory for [Ru(bpy)3]2+: A New 3MC Minimum Prone to Ligand Loss Photochemistry
Inorganic Chemistry, American Chemical Society, 2018, 57, 6, pp.3192-3196. ⟨10.1021/acs.inorgchem.7b03229⟩

hal-01529346v1 Journal articles
Nathalie Tarrat, Mathias Rapacioli, Jérôme Cuny, Joseph Morillo, Jean-Louis Heully et al. Global optimization of neutral and charged 20- and 55-atom silver and gold clusters at the DFTB level
Computational and Theoretical Chemistry, Elsevier, 2017, 1107, pp.102-114. ⟨10.1016/j.comptc.2017.01.022⟩

hal-01396525v1 Journal articles
Juan Sanz Garcia, Fabienne Alary, Martial Boggio-Pasqua, Isabelle Dixon, Jean-Louis Heully. Is photoisomerization required for NO photorelease in ruthenium nitrosyl complexes?
Journal of Molecular Modeling, Springer Verlag (Germany), 2016, 22 (11), pp.284. ⟨10.1007/s00894-016-3138-2⟩

hal-00941075v1 Journal articles
Fabienne Alary, Jean-Louis Heully, L. Bijeire, Patricia Vicendo. Is the 3MLCT the only photoreactive state of polypyridyl complexes?
Inorganic Chemistry, American Chemical Society, 2007, 46 (8), pp.3154-3165. ⟨10.1021/ic062193i⟩

hal-00941081v1 Journal articles
Martial Boggio-Pasqua, Patricia Vicendo, Mohamed Oubal, Fabienne Alary, Jean-Louis Heully. Ligand Selection in Ru-II Complexes for Direct One-Electron Photooxidation of Guanine: A Combined Computational and Experimental Study
Chemistry - A European Journal, Wiley-VCH Verlag, 2009, 15 (12), pp.2759-2762. ⟨10.1002/chem.200802520⟩

hal-01684087v1 Journal articles
Francesco Talotta, Jean-Louis Heully, Fabienne Alary, Isabelle Dixon, Leticia González et al. Linkage Photoisomerization Mechanism in a Photochromic Ruthenium Nitrosyl Complex: New Insights from an MS-CASPT2 Study
Journal of Chemical Theory and Computation, American Chemical Society, 2017, 13 (12), pp.6120-6130. ⟨10.1021/acs.jctc.7b00982⟩

jpa-00248144v1 Journal articles
Jean-Louis Heully, Stefano Evangelisti, Philippe Durand. On Some Attempts to Generalize the Effective Hamiltonian Approach
Journal de Physique II, EDP Sciences, 1995, 5 (1), pp.63-74. ⟨10.1051/jp2:1995100⟩

hal-02490295v1 Journal articles
Adrien Soupart, Fabienne Alary, Jean-Louis Heully, Isabelle Dixon. On the Possible Coordination on a 3MC State Itself? Mechanistic Investigation Using DFT-Based Methods
Inorganics, MDPI AG, 2020, 8 (2), pp.15. ⟨10.3390/inorganics8020015⟩

hal-00981418v1 Journal articles
Emilie Lebon, Remy Sylvain, Rémi Piau, Cloé Lanthony, Julien Pilmé et al. Phosphoryl Group as a Strong σ-Donor Anionic Phosphine-Type Ligand: A Combined Experimental and Theoretical Study on Long-Lived Room Temperature Luminescence of the [Ru(tpy)(bpy)(Ph2PO)]+ Complex
Inorganic Chemistry, American Chemical Society, 2014, 53 (4), pp.1946-1948. ⟨10.1021/ic4028496⟩

hal-00834727v1 Journal articles
Rémi Piau, Thomas Guillon, Emilie Lebon, Nicolas Perrot, Fabienne Alary et al. Photophysical and electrochemical properties of polypyridine imine ruthenium(II) complexes: a comparative experimental and theoretical study
New Journal of Chemistry, Royal Society of Chemistry, 2012, 36 (12), pp.2484-2492. ⟨10.1039/C2NJ40353F⟩

hal-01327047v1 Journal articles
Adrien Göttle, Fabienne Alary, Martial Boggio-Pasqua, Isabelle Dixon, Jean-Louis Heully et al. Pivotal Role of a Pentacoordinate 3MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study
Inorganic Chemistry, American Chemical Society, 2016, 55 (9), pp.4448-4456. ⟨10.1021/acs.inorgchem.6b00268⟩

hal-01081297v1 Journal articles
Isabelle Dixon, Shehryar Khan, Fabienne Alary, Martial Boggio-Pasqua, Jean-Louis Heully. Probing the photophysical capability of mono and bis(cyclometallated) Fe(II) polypyridine complexes using inexpensive ground state DFT
Dalton Transactions, Royal Society of Chemistry, 2014, 43 (42), pp.15898-15905. ⟨10.1039/c4dt01939c⟩

hal-01691911v1 Conference papers
Léa Farouil, Fabienne Alary, Eléna Bedel-Pereira, Isabelle Séguy, Jean-Louis Heully. Propriétés structurelles et photophysiques du 3- hexylthiophène (P3HT) : études expérimentale et théorique combinées
TouCAM 2017 2 ème édition des Journées Toulousaines du Calcul Atomique et Moléculaire, Nov 2017, Toulouse, France

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