Nombre de documents

29

CV de Yannick Carissan


Article dans une revue25 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>
  • 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>
  • Olivier Schicke, Bruno Faure, Yannick Carissan, Michel Giorgi, Ariane Jalila Simaan, et al.. Synthesis and Characterization of a Dinuclear Copper Complex Bearing a Hydrophobic Cavity as a Model for Copper-Containing Monooxygenases. European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2015, 2015 (21), pp.3512 - 3518. <10.1002/ejic.201500280>. <hal-01475430>
  • Olivier Schicke, Bruno Faure, Yannick Carissan, Michel Giorgi, Ariane Jalila Simaan, et al.. Synthesis and Characterization of a Dinuclear Copper Complex Bearing a Hydrophobic Cavity as a Model for Copper-Containing Monooxygenases: A Dinuclear Copper Complex Bearing a Hydrophobic Cavity. European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2015, 2015 (21), <10.1002/ejic.201500280>. <hal-01206849>
  • Teddy Butscher, Fabrice Duvernay, Patrice Theule, Grégoire Danger, Yannick Carissan, et al.. Formation mechanism of glycolaldehyde and ethylene glycol in astrophysical ices from HCO• and• CH2OH recombination: an experimental study. Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P - Oxford Open Option A, 2015, 453 (2), pp.1587. <10.1093/mnras/stv1706>. <hal-01206870>
  • 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>
  • Paola Nava, Yannick Carissan. On the ring-opening of substituted cyclobutene to benzocyclobutene: analysis of pi delocalization, hyperconjugation, and ring strain. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, pp.16196. <10.1039/c4cp01695e>. <hal-01141483>
  • Nicolas Fernandez, Yves Ferro, Yannick Carissan, Julien Marchois, Alain Allouche. The interaction of beryllium with benzene and graphene: a comparative investigation based on DFT, MP2, CCSD(T), CAS-SCF and CAS-PT2. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16 (5), pp.1957 - 1966. <10.1039/c3cp54062f>. <hal-01447585>
  • Jean Drujon, Raphaël Rahmani, Virginie Héran, Romain Blanc, Yannick Carissan, et al.. Trans-1,2-disiloxybenzocyclobutene, an adequate partner for the auto-oxisation: EPR/spin trapping and theoretical studies. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16, pp.7513-7520. <10.1039/c3cp55077j>. <hal-01066302>
  • Yannick Carissan, Wim Klopper. Hydrogen abstraction from biphenyl, acenaphthylene, naphthalene and phenanthrene by atomic hydrogen and methyl radical: DFT and G3(MP2)-RAD data. Journal of Molecular Structure: THEOCHEM, Elsevier, 2010, 940 (1-3), pp.115 - 118. <10.1016/j.theochem.2009.10.017>. <hal-01447590>
  • 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>
  • Wim Klopper, Rafał A. Bachorz, David P. Tew, Jorge Aguilera-Iparraguirre, Yannick Carissan, et al.. Accurate Coupled Cluster Calculations of the Reaction Barrier Heights of Two CH 3 • + CH 4 Reactions †. Journal of Physical Chemistry A, American Chemical Society, 2009, 113 (43), pp.11679 - 11684. <10.1021/jp902753s>. <hal-01447592>
  • 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>
  • George P. Lithoxoos, Jannis Samios, Yannick Carissan. Investigation of Silicon Model Nanotubes as Potential Candidate Nanomaterials for Efficient Hydrogen Storage: A Combined Ab Initio/Grand Canonical Monte Carlo Simulation Study. Journal of Physical Chemistry C, American Chemical Society, 2008, 112 (43), pp.16725 - 16728. <10.1021/jp805559a>. <hal-01447596>
  • 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>
  • Yannick Carissan, Fabienne Bessac, Fabienne Alary, Jean-Louis Heully, Romuald Poteau. What can we do with an effective group potential?. International Journal of Quantum Chemistry, Wiley, 2006, 106 (3), pp.727 - 733. <10.1002/qua.20837>. <hal-01447606>
  • Yannick Carissan, Wim Klopper. Growing Graphene Sheets from Reactions with Methyl Radicals: A Quantum Chemical Study. ChemPhysChem, Wiley-VCH Verlag, 2006, 7 (8), pp.1770 - 1778. <10.1002/cphc.200600171>. <hal-01447602>
  • Barbara V. Unterreiner, Yannick Carissan, Wim Klopper. Density Functional Study of Methyl Chemisorption on Polycyclic Aromatic Hydrocarbons. ChemPhysChem, Wiley-VCH Verlag, 2006, 7 (6), pp.1311 - 1321. <10.1002/cphc.200500673>. <hal-01447604>
  • 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-01447610>
  • 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-00003423>
  • 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-01442316>

Communication dans un congrès3 documents

  • 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>
  • Yannick Carissan. trans-1,2-Disiloxybenzocyclobutene + O 2 & pseudopotentials for hybridized carbon atoms. Joint EMLG/JMLG Annual Meeting, Sep 2016, Platanias, Greece. <http://www.emlg2016.org/>. <hal-01408042>
  • Yannick Carissan. Properties and reactivity of the trans-1,2-disiloxybenzocyclobutene. EMLG JMLG joint meeting, Sep 2016, Chania, Greece. <http://www.emlg2016.org/>. <hal-01431703>

HDR1 document

  • Yannick Carissan. Modèles en chimie théorique, développements et applications. Chimie théorique et/ou physique. Aix Marseille Université, 2015. <tel-01306829>