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	Pour les 121 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 4 5 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Conséquences budgétaires de l’innovation médicamenteuse à l’hôpital : exemple de la maladie de Fabry J. Huault-Quentel , B. Sabatier , G. Chatellier , C. Karanfilovic , A. Ravaillant , et al. Journal d'Economie Médicale, 2004, 6, 22, pp.291-298 Article dans une revue hal-01511736v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The importance of anharmonicity in predicting the IR spectra of low coordinated organoarsenic compounds R. Marchal , Didier Bégué , Anna Chrostowska , Claude Pouchan Chemical Physics Letters, 2010, 493 (1-3), pp.24--26. ⟨10.1016/j.cplett.2010.04.047⟩ Article dans une revue hal-01566336v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		An single program multiple data strategy for calculation of anharmonic vibrations Didier Bégué , N. Gohaud , Ross Brown , Claude Pouchan Journal of Mathematical Chemistry, 2006, 40 (3), pp.197-211. ⟨10.1007/s10910-006-9163-0⟩ Article dans une revue istex hal-01598735v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Conducting polyaniline composite: From syntheses in waterborne systems to chemical sensor devices Mathieu Joubert , Myriam Bouhadid , Didier Bégué , Pierre Iratcabal , N. Redon , et al. Polymer, 2010, 51 (8), pp.1716-1722. ⟨10.1016/j.polymer.2010.01.052⟩ Article dans une revue istex hal-01564101v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Semiconducting mixtures. Graham Morse , Andreas Distler , Simon Dowland , Roger C. Hiorns , Didier Bégué , et al. France, Patent n° : WO2017088955 A1. 2017, 150pp.; Chemical Indexing Equivalent to 167:31398 (EP) Brevet hal-01697108v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Selective recognition of acetylcholine over choline by a fluorescent cage Augustin Long , Nicolas Fantozzi , Sandra Pinet , Emilie Genin , Rémi Pétuya , et al. Organic & Biomolecular Chemistry, 2019, 17 (21), pp.5253-5257. ⟨10.1039/c9ob00931k⟩ Article dans une revue hal-02150162v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A-VCI: A flexible method to efficiently compute vibrational spectra Marc Odunlami , Vincent Le Bris , Didier Bégué , Isabelle Baraille , Olivier Coulaud Journal of Chemical Physics, 2017, 146 (21), ⟨10.1063/1.4984266⟩ Article dans une revue hal-01534134v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Prediction of the photoelectron spectrum for XPY2 (X = H, F, Cl; Y = O, S) type of molecules by ab initio and DFT methods Didier Bégué , Jean-Marc Sotiropoulos , Claude Pouchan , D.Y. Zhang Canadian Journal of Chemistry, 2006, 84 (1), pp.5-9. ⟨10.1139/v05-257⟩ Article dans une revue hal-01598732v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Modern mass spectrometry for studying mass-independent fractionation of heavy stable isotopes in environmental and biological sciences Vladimir Epov , D. Malinovskiy , F. Vanhaecke , Didier Bégué , Olivier François Xavier Donard Journal of Analytical Atomic Spectrometry, 2011, 26 (6), pp.1142-1156. ⟨10.1039/c0ja00231c⟩ Article dans une revue hal-01590303v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Mini-review: materials and modelling for organic photovoltaic devices Olivier Doat , Bruno H Barboza , Augusto Batagin‐neto , Didier Bégué , Roger C Hiorns , et al. Polymer international, 2022, 71 (1), ⟨10.1002/pi.6280⟩ Article dans une revue hal-03432716v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Oligo- and poly(fullerene)s for photovoltaic applications: Modeled electronic behaviors and synthesis. Hugo Santos Silva , Hasina H. Ramanitra , Bruna A. Bregadiolli , Didier Bégué , Carlos F. O. Graeff , et al. Journal of Polymer Science Part A: Polymer Chemistry, 2017, Copyright (C) 2017 American Chemical Society (ACS). All Rights Reserved., pp.Ahead of Print. ⟨10.1002/pola.28502⟩ Article dans une revue hal-01481303v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Rearrangements of Nitrile Imines: Ring Expansion of Benzonitrile Imines to Cycloheptatetraenes and Ring Closure to 3-Phenyl-3 H -diazirines Didier Bégué , Alain Dargelos , Curt Wentrup Journal of Organic Chemistry, 2019, 84 (13), pp.8668-8673. ⟨10.1021/acs.joc.9b01183⟩ Article dans une revue hal-02288850v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Software news and updates new parallel software (P_Anhar) for anharmonic vibrational calculations: Application to (CH3Li)2 N. Gohaud , Didier Bégué , Clovis Darrigan , Claude Pouchan Journal of Computational Chemistry, 2005, 26 (7), pp.743-754. ⟨10.1002/jcc.20204⟩ Article dans une revue istex hal-01549707v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Density Functional Finite Cluster Method for Polarizability of Large BeN Three-Dimensional Systems Didier Bégué , Claude Pouchan Journal of Computational Chemistry, 2001, 22 (2), pp.230-240. ⟨10.1002/1096-987X(20010130)22:2<230::AID-JCC10>3.0.CO;2-J⟩ Article dans une revue istex hal-01598760v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Anharmonic force field and vibrational spectra of perfluoromethanimine CF2NF Philippe Carbonnière , Didier Bégué , Claude Pouchan Journal of Physical Chemistry A, 2002, 106 (40), pp.9290-9293. ⟨10.1021/jp021321v⟩ Article dans une revue istex hal-01598757v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ab initio finite field (hyper)polarizability computations on stoichiometric gallium arsenide clusters GanAsn (n=2-9) Panaghiotis Karamanis , Didier Bégué , Claude Pouchan Journal of Chemical Physics, 2007, 127 (9), ⟨10.1063/1.2768365⟩ Article dans une revue hal-01598723v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Modeling the IR spectra of acetaldehyde from a new vibrational configuration interaction method Didier Bégué , Claude Pouchan Computation in Modern Science and Engineering, 2007, Unknown, Unknown Region. pp.14-18, ⟨10.1063/1.2836025⟩ Communication dans un congrès hal-01598727v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Density functional theory studies of correlations between structure, binding energy, and dipole polarizability in Si9 Si12 D.Y. Zhang , Didier Bégué , Claude Pouchan Chemical Physics Letters, 2004, 398 (4-6), pp.283-286. ⟨10.1016/j.cplett.2004.09.080⟩ Article dans une revue istex hal-01598751v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Sensitivity of Asphaltene Aggregation toward the Molecular Architecture under Desalting Thermodynamic Conditions H. Santos Silva , A. Alfarra , Germain Vallverdu , Didier Bégué , Brice Bouyssière , et al. Energy & Fuels, 2018, 32 (3), pp.2681 - 2692. ⟨10.1021/acs.energyfuels.7b02728⟩ Article dans une revue hal-01781969v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Time-dependent gauge-invariant calculations of the dynamic polarizabilities of NO+ in its electronic ground state X 1∑+ Mohammadou Mérawa , Didier Bégué , Claude Pouchan Journal of Molecular Structure: THEOCHEM, 2003, 633 (2-3), pp.157-161. ⟨10.1016/S0166-1280(03)00270-7⟩ Article dans une revue istex hal-01598755v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Langmuir and Langmuir-Blodgett films of low-bandgap polymers Maria Braunger , Edilene Assunção da Silva , Hussein Awada , Vinícius Jr de Oliveira , Hugo Santos Silva , et al. Polymer international, 2018, 67 (8), pp.1028-1034. ⟨10.1002/pi.5604⟩ Article dans une revue hal-02186206v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Designing intrinsically photostable low band gap polymers: a smart tool combining EPR spectroscopy and DFT calculations. Hugo Santos Silva , Isabel Fraga Domínguez , Anthony Perthué , Paul D. Topham , Pierre-Olivier Bussière , et al. Journal of Materials Chemistry A, 2016, 4, pp.15647-15654. ⟨10.1039/C6TA05455B⟩ Article dans une revue hal-01477694v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Anharmonic treatment of vibrational resonance polyads--the diborane: a critical case for numerical methods Didier Bégué , Claude Pouchan , Jean-Claude Guillemin , Abdessamad Benidar Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2012, 131, pp.1122. ⟨10.1007/s00214-012-1122-1⟩ Article dans une revue istex hal-00904692v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Dynamic scalar and tensor polarizabilities for the low-lying 21P0 and 23P0 states of Be Didier Bégué , M. Mérawa , Michel Rérat , Claude Pouchan Journal of Physics B: Atomic, Molecular and Optical Physics, 1998, 31 (23), pp.5077-5084. ⟨10.1088/0953-4075/31/23/006⟩ Article dans une revue istex hal-01598770v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Increased thermal stabilization of polymer photovoltaic cells with oligomeric PCBM H.H. Ramanitra , S.A. Dowland , B.A. Bregadiolli , M. Salvador , Hugo Santos Silva , et al. Journal of Materials Chemistry C, 2016, 4 (34), pp.8121--8129. ⟨10.1039/c6tc03290g⟩ Article dans une revue hal-01495770v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A-VCI: a flexible method to efficiently compute vibrational spectra Isabelle Baraille , Didier Bégué , Olivier Coulaud , Vincent Le Bris , Marc Odunlami [Research Report] RR-9043, Inria. 2017, pp.35 Rapport hal-01485877v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Targeting ideal acceptor-donor materials based on hexabenzocoronene Hugo Santos Silva , S. Metz , Roger C. Hiorns , Didier Bégué Journal of Molecular Structure, 2018, 1161, pp.442-452. ⟨10.1016/j.molstruc.2018.02.067⟩ Article dans une revue hal-01736855v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Asphaltene aggregation studied by molecular dynamics simulations: role of the molecular architecture and solvents on the supramolecular or colloidal behavior Hugo Santos Silva , A. Alfarra , Germain Vallverdu , Didier Bégué , Brice Bouyssière , et al. Petroleum Science and Technology, 2019, 16 (3), pp.669-684. ⟨10.1007/s12182-019-0321-y⟩ Article dans une revue hal-02172587v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Towards the synthesis of poly(azafulleroid)s: main chain fullerene oligomers for organic photovoltaic devices B.A. Bregadiolli , H.H. Ramanitra , R.M. Ferreira , L. Corcoles , M.S. Gomes , et al. Polymer international, 2017, 66 (10), pp.1364-1371. ⟨10.1002/pi.5419⟩ Article dans une revue hal-01601972v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A universal route to improving conjugated macromolecule photostability Hugo Santos Silva , A. Tournebize , Didier Bégué , H. Peisert , T. Chassé , et al. RSC Advances, 2014, 4 (97), pp.54919-54923. ⟨10.1039/c4ra10806j⟩ Article dans une revue hal-01601975v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Conséquences budgétaires de l’innovation médicamenteuse à l’hôpital : exemple de la maladie de Fabry

The importance of anharmonicity in predicting the IR spectra of low coordinated organoarsenic compounds

An single program multiple data strategy for calculation of anharmonic vibrations

Conducting polyaniline composite: From syntheses in waterborne systems to chemical sensor devices

Semiconducting mixtures.

Selective recognition of acetylcholine over choline by a fluorescent cage

A-VCI: A flexible method to efficiently compute vibrational spectra

Prediction of the photoelectron spectrum for XPY2 (X = H, F, Cl; Y = O, S) type of molecules by ab initio and DFT methods

Modern mass spectrometry for studying mass-independent fractionation of heavy stable isotopes in environmental and biological sciences

Mini-review: materials and modelling for organic photovoltaic devices

Oligo- and poly(fullerene)s for photovoltaic applications: Modeled electronic behaviors and synthesis.

Rearrangements of Nitrile Imines: Ring Expansion of Benzonitrile Imines to Cycloheptatetraenes and Ring Closure to 3-Phenyl-3 H -diazirines

Software news and updates new parallel software (P_Anhar) for anharmonic vibrational calculations: Application to (CH3Li)2

Density Functional Finite Cluster Method for Polarizability of Large BeN Three-Dimensional Systems

Anharmonic force field and vibrational spectra of perfluoromethanimine CF2NF

Ab initio finite field (hyper)polarizability computations on stoichiometric gallium arsenide clusters GanAsn (n=2-9)

Modeling the IR spectra of acetaldehyde from a new vibrational configuration interaction method

Density functional theory studies of correlations between structure, binding energy, and dipole polarizability in Si9 Si12

Sensitivity of Asphaltene Aggregation toward the Molecular Architecture under Desalting Thermodynamic Conditions

Time-dependent gauge-invariant calculations of the dynamic polarizabilities of NO+ in its electronic ground state X 1∑+

Langmuir and Langmuir-Blodgett films of low-bandgap polymers

Designing intrinsically photostable low band gap polymers: a smart tool combining EPR spectroscopy and DFT calculations.

Anharmonic treatment of vibrational resonance polyads--the diborane: a critical case for numerical methods

Dynamic scalar and tensor polarizabilities for the low-lying 21P0 and 23P0 states of Be

Increased thermal stabilization of polymer photovoltaic cells with oligomeric PCBM

A-VCI: a flexible method to efficiently compute vibrational spectra

Targeting ideal acceptor-donor materials based on hexabenzocoronene

Asphaltene aggregation studied by molecular dynamics simulations: role of the molecular architecture and solvents on the supramolecular or colloidal behavior

Towards the synthesis of poly(azafulleroid)s: main chain fullerene oligomers for organic photovoltaic devices

A universal route to improving conjugated macromolecule photostability