Nombre de documents

23

CV de Stephane Humbel


Article dans une revue22 documents

  • Julien Racine, Yannick Carissan, Denis Hagebaum-Reignier, Stéphane Humbel. A Generalized Brillouin Theorem (GBT)-like implementation to Optimize Valence Bond Wavefunction for Excited States. Computational and Theoretical Chemistry, 2017, <10.1016/j.comptc.2017.01.019>. <hal-01469404>
  • Mansour Mohamed Bounab, Khatmi Djameleddine, Humbel Stéphane, Rayenne Djémil, Madi Fatiha, et al.. Molecular dynamics and quantum mechanics study of the [2-oxo-N-phenyl-3-oxazolidinesulfonamide@β-cyclodextrin] complex. Journal of Molecular Liquids, Elsevier, 2016, 222, pp.777 - 782. <10.1016/j.molliq.2016.07.121>. <hal-01449388>
  • Julien Racine, Denis Hagebaum-Reignier, Yannick Carissan, Stephane Humbel. Recasting Wave Functions into Valence Bond Structures: A Simple Projection Method to Describe Excited States. Journal of Computational Chemistry, Wiley, 2016, 37 (8), pp.771. <10.1002/jcc.24267>. <hal-01306875>
  • Yannick Carissan, Denis Hagebaum-Reignier, Stephane Humbel, Nicolas Goudard. Weight Watchers électronique : calculez votre poids de formes résonantes : Ou les bienfaits du numérique, même approximatif. L'Actualité Chimique, 2016, L'actualité chimique, 406, pp.36-40. <http://www.lactualitechimique.org>. <hal-01347244>
  • Djameleddine Khatmi, Yannick Carissan, Denis Hagebaum-Reignier, Nicolas Goudard, Stéphane Humbel. Mesomerism, Ring & Substituent Effects, A Computational Chemistry Experiments. journal of laboratory chemical education, Scientific & Academic Publishing, 2016, 4 (2), pp.25-34. <http://article.sapub.org/10.5923.j.jlce.20160402.01.html>. <10.5923/j.jlce.20160402.01>. <hal-01347226>
  • Paola Nava, Hervé Clavier, Yves Gimbert, Laurent Giordano, Gérard Buono, et al.. Corrigendum: Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands. ChemCatChem, Wiley, 2016, 8 (2), pp.471 - 471. <10.1002/cctc.201501320>. <hal-01450779>
  • Yannick Carissan, Nicolas Goudard, Denis Hagebaum-Reignier, Stéphane Humbel. HuLiS, a program to teach mesomerism and more. Journal of Physics: Conference Series, IOP Publishing, 2016, 738, pp.12015 - 12015. <10.1088/1742-6596/738/1/012015>. <hal-01380727>
  • Paola Nava, Hervé Clavier, Yves Gimbert, Laurent Giordano, Gérard Buono, et al.. Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands. ChemCatChem, Wiley, 2015, 7 (23), pp.3848-3854. <10.1002/cctc.201500809>. <hal-01409758>
  • Paola Nava, Hervé Clavier, Yves Gimbert, Laurent Giordano, Gérard Buono, et al.. Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands. ChemCatChem, Wiley, 2015, ChemCatChem, 7, pp.3848-3854. <10.1002/cctc.201500809>. <hal-01347478>
  • Paola Nava, Yannick Carissan, Jean Drujon, Fanny Grau, Julien Godeau, et al.. On the Catalysis of the Cycloisomerization of 1,6-Dienes with Tin(IV) Salts: The Important Role of a Water Molecule. ChemCatChem, Wiley, 2014, ChemCatChem, 6, pp.500 - 507. <10.1002/cctc.201300952>. <hal-01347469>
  • Julien Racine, Stéphane Humbel. Large Hyperconjugation in Strained Systems. Chemistry - A European Journal, Wiley-VCH Verlag, 2014, Chemistry a European Journal, 20, pp.12601-12606. <10.1002/chem.201403582>. <hal-01347475>
  • Caroline Barrère, Christophe Chendo, Trang N. T. Phan, Valérie Monnier, Thomas Trimaille, et al.. Successful MALDI-MS Analysis of Synthetic Polymers with Labile End-Groups: The Case of Nitroxide-Mediated Polymerization Using the MAMA-SG1 Alkoxyamine. CHEMISTRY-A EUROPEAN JOURNAL, 2012, 18 (25), pp.7916--7924. <10.1002/chem.201200239>. <hal-01460353>
  • Paola Nava, Denis Hagebaum-Reignier, Stéphane Humbel. Bonding of Gold with Unsaturated Species. ChemPhysChem, Wiley-VCH Verlag, 2012, 13 (8), pp.2090 - 2096. <10.1002/cphc.201101065>. <hal-01450857>
  • Thierry Fouquet, Stéphane Humbel, Laurence Charles. Tandem Mass Spectrometry of Trimethylsilyl-Terminated Poly(Dimethylsiloxane) Ammonium Adducts Generated by Electrospray Ionization. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2011, 22 (4), pp.649--658. <10.1007/s13361-010-0073-9>. <hal-01460288>
  • Thierry Fouquet, Stéphane Humbel, Laurence Charles. Dissociation characteristics of alpha,omega-dihydride poly(dimethylsiloxane) ammonium adducts generated by electrospray ionization. International Journal of Mass Spectrometry, Elsevier, 2011, 306 (1), pp.70--76. <10.1016/j.ijms.2011.06.020>. <hal-01460286>
  • Magdalena Karanik, Denis Lesage, Yves Gimbert, Paola Nava, Stéphane Humbel, et al.. Do Platinum(II) and Palladium(II) Phosphinito Phosphinous Acids Generate the Same Type of Reactive Intermediate in Alkyne Coordination? A Gas-Phase Study with Phenylethyne and Propargyl Acetate. Organometallics, American Chemical Society, 2011, 30 (18), pp.4814 - 4821. <10.1021/om200234c>. <hal-01450817>
  • Vito Vece, Jérémy Ricci, Sophie Poulain-Martini, Paola Nava, Yannick Carissan, et al.. InIII-Catalysed Tandem C-C and C-O Bond Formation between Phenols and Allylic Acetates. European Journal of Organic Chemistry, Wiley-VCH Verlag, 2010, 2010 (32), pp.6239 - 6248. <10.1002/ejoc.201000738>. <hal-01447589>
  • Paola Nava, Yannick Carissan, Stéphane Humbel. Labile ligands on some Lewis super acids: a computational study. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2009, 11 (33), <10.1039/b907229b>. <hal-01447594>
  • Yannick Carissan, Denis Hagebaum-Reignier, Nicolas Goudard, Stéphane Humbel. Hückel-Lewis Projection Method: A “Weights Watcher” for Mesomeric Structures †. Journal of Physical Chemistry A, American Chemical Society, 2008, 112 (50), pp.13256 - 13262. <10.1021/jp803813e>. <hal-01447595>
  • Marion Girod, Yannick Carissan, Stéphane Humbel, Laurence Charles. Tandem mass spectrometry of doubly charged poly(ethylene oxide) oligomers produced by electrospray ionization. International Journal of Mass Spectrometry, Elsevier, 2008, 272 (1), pp.1 - 11. <10.1016/j.ijms.2007.12.010>. <hal-01447597>
  • Denis Hagebaum-Reignier, Raphaël Girardi, Yannick Carissan, Stéphane Humbel. Hückel theory for Lewis structures: Hückel–Lewis Configuration Interaction (HL-CI). Journal of Molecular Structure: THEOCHEM, Elsevier, 2007, 817 (1-3), pp.99 - 109. <10.1016/j.theochem.2007.04.026>. <hal-01447600>
  • C Bertrand, J Bouquant, J.P Pete, Stéphane Humbel. Theoretical description of [2+2] photocycloadditions: enone and ethylene as a model of the reactivity of cycloenones. Journal of Molecular Structure: THEOCHEM, Elsevier, 2001, 538 (1-3), pp.165 - 177. <10.1016/S0166-1280(00)00693-X>. <hal-01449384>

Communication dans un congrès1 document

  • Yannick Carissan, Denis Hagebaum-Reignier, Nicolas Goudard, Stéphane Humbel. HuLiS a program to recast molecular orbital wave functions into Lewis structures. 5th International Conference on Mathematical Modeling in Physical Sciences, May 2016, Athènes, Greece. Proceedings, 5th International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE 2016) (ICMSQ 16) : Athens, Greece, May 23-26, 2016. <hal-01408046>