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authIdHal_s : yannickcarissan
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When cobalt-mediated [2 + 2 + 2] cycloaddition reaction dares go astray: synthesis of unprecedented cobalt( iii )-complexes

Marion Delorme , Alexander Punter , Raquel Oliveira , Corinne Aubert , Yannick Carissan et al.
Dalton Transactions, 2019, 48 (42), pp.15767-15771. ⟨10.1039/C9DT03311D⟩
Journal articles hal-02354762v1
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Résumé graphique de l'article intitulé "Recasting Wave Functions into Valence Bond Structures: A Simple Projection Method to Describe Excited States

Yannick Carissan
Illustration. France. 2019
Image medihal-02095334v1
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Multidimensional Isotropic Magnetic Shielding Contour Maps for the Visualization of Aromaticity in ortho-Arynes and Their Reactions

Albert Artigas , Denis Hagebaum-Reignier , Yannick Carissan , Yoann Coquerel
Synthesis: Journal of Synthetic Organic Chemistry, 2022, 54 (22), pp.4997-5002. ⟨10.1055/a-1867-0674⟩
Journal articles hal-03856914v1
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Determination of the Rate Constant of the [4 + 2] Cycloaddition Between an Aryne Atropisomer and Furan in Solution

Guillaume Dauvergne , Nicolas Vanthuyne , Michel Giorgi , Jean Rodriguez , Yannick Carissan et al.
Illustration. France. 2022
Image hal-03777722v1
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Illustration de " A generalized Brillouin theorem (GBT)-like implementation to optimize Valence Bond wave function for excited states

Yannick Carissan , Denis Hagebaum-Reignier , Stéphane Humbel , Julien Racine
Illustration. France. 2017
Image medihal-01587254v1
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Cyclobishelicenes: Shape-Persistent Figure-Eight Aromatic Molecules with Promising Chiroptical Properties

Antoine Robert , Guilaume Naulet , Harald Bock , Nicolas Vanthuyne , Marion Jean et al.
Photography. France. 2019
Image hal-02332131v1
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On the ring-opening of substituted cyclobutene to benzocyclobutene: analysis of pi delocalization, hyperconjugation, and ring strain

Paola Nava , Yannick Carissan
Physical Chemistry Chemical Physics, 2014, pp.16196. ⟨10.1039/c4cp01695e⟩
Journal articles hal-01141483v1

Tandem mass spectrometry of doubly charged poly(ethylene oxide) oligomers produced by electrospray ionization

Marion Girod , Yannick Carissan , Stéphane Humbel , Laurence Charles
International Journal of Mass Spectrometry, 2008, 272 (1), pp.1 - 11. ⟨10.1016/j.ijms.2007.12.010⟩
Journal articles istex hal-01447597v1
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Trans-1,2-disiloxybenzocyclobutene, an adequate partner for the auto-oxisation: EPR/spin trapping and theoretical studies

Jean Drujon , Raphaël Rahmani , Virginie Héran , Romain Blanc , Yannick Carissan et al.
Physical Chemistry Chemical Physics, 2014, 16, pp.7513-7520. ⟨10.1039/c3cp55077j⟩
Journal articles hal-01066302v1

trans-1,2-Disiloxybenzocyclobutene + O 2 & pseudopotentials for hybridized carbon atoms

Yannick Carissan
Joint EMLG/JMLG Annual Meeting, Janis Samios, Sep 2016, Platanias, Greece
Conference papers hal-01408042v1
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Synthesis and Electron Accepting Properties of Two Di(benz[ f ]indenone)-Fused Tetraazaanthracene Isomers

Bruno Salgues , Rudraditya Sarkar , Muhammad Luthfi Fajri , Yatzil Alejandra Avalos-Quiroz , Anne-Doriane Manick et al.
Illustration. France. 2022
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Investigation of Silicon Model Nanotubes as Potential Candidate Nanomaterials for Efficient Hydrogen Storage: A Combined Ab Initio/Grand Canonical Monte Carlo Simulation Study

George P. Lithoxoos , Jannis Samios , Yannick Carissan
Journal of Physical Chemistry C, 2008, 112 (43), pp.16725 - 16728. ⟨10.1021/jp805559a⟩
Journal articles istex hal-01447596v1
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Periselectivity in the aza-Diels–Alder Cycloaddition between α-Oxoketenes and N -(5-Pyrazolyl)imines: A Combined Experimental and Theoretical Study

Juan-Carlos Castillo , Brian Castro Agudelo , Jaime Gálvez , Yannick Carissan , Jean Rodriguez et al.
Journal of Organic Chemistry, 2020, 85 (11), pp.7368-7377. ⟨10.1021/acs.joc.0c00767⟩
Journal articles hal-02990649v1
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Computing the Local Aromaticity of Benzenoids Thanks to Constraint Programming

Yannick Carissan , Chisom-Adaobi Dim , Denis Hagebaum-Reignier , Nicolas Prcovic , Cyril Terrioux et al.
26th International Conference on Principles and Practice of Constraint Programming, Sep 2020, Louvain-la-Neuve, Belgium. pp.673-689, ⟨10.1007/978-3-030-58475-7_39⟩
Conference papers hal-02931928v1
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Weight Watchers électronique : calculez votre poids de formes résonantes

Yannick Carissan , Denis Hagebaum-Reignier , Stephane Humbel , Nicolas Goudard
L'Actualité Chimique, 2016, L'actualité chimique, 406, pp.36-40
Journal articles hal-01347244v1

Localized Structures at the Hückel Level, a Hückel-Derived Valence Bond Method

Yannick Carissan , Goudard Nicolas , Denis Hagebaum-Reignier , Stéphane Humbel
Applications of Topological Methods in Molecular Chemistry, 2016
Book sections hal-02095737v1
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Atomic pseudopotentials for reproducing π-orbital electron behavior in sp 2 carbon atoms

Alexander Punter , Paola Nava , Yannick Carissan
International Journal of Quantum Chemistry, 2019, pp.e25914. ⟨10.1002/qua.25914⟩
Journal articles hal-02048996v1

A study of the correlation effects upon the modelization of the double exchange phenomenon

Jean-Louis Heully , Yannick Carissan , Nathalie Guihéry , Fabienne Alary
Journal of Chemical Physics, 2004, 121, pp.9453. ⟨10.1063/1.1806415⟩
Journal articles hal-00003423v1
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Illustration des performances des pseudo potentiels extraits dans la seconde version des pseudo potentiels anisotropes pour atomes hybridés.

Yannick Carissan
Photography. France. 2017
Image medihal-01587555v1
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Synthesis and Electron Accepting Properties of Two Di(benz[f]indenone)-Fused Tetraazaanthracene Isomers

Bruno Salgues , Rudraditya Sarkar , Muhammad Fajri , Yatzil Avalos-Quiroz , Anne-Doriane Manick et al.
Journal of Organic Chemistry, 2022, 87, pp.3276 - 3285. ⟨10.1021/acs.joc.1c02942⟩
Journal articles hal-03594115v1
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How constraint programming can help chemists to generate Benzenoid structures and assess the local Aromaticity of Benzenoids

Yannick Carissan , Denis Hagebaum-Reignier , Nicolas Prcovic , Cyril Terrioux , Adrien Varet et al.
Journal articles hal-03684890v1
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Modèles en chimie théorique, développements et applications

Yannick Carissan
Chimie théorique et/ou physique. Aix Marseille Université, 2015
Habilitation à diriger des recherches tel-01306829v1
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Stereoselective Syntheses, Structures and Properties of Extremely Distorted Chiral Nanographenes Embedding Hextuple Helicenes

Myriam Roy , Veronika Berezhnaia , Marco Villa , Nicolas Vanthuyne , Michel Giorgi et al.
Angewandte Chemie International Edition, 2020, 59 (8), pp.3264-3271. ⟨10.1002/anie.201913200⟩
Journal articles hal-03064338v1

Synthesis and Characterization of a Dinuclear Copper Complex Bearing a Hydrophobic Cavity as a Model for Copper-Containing Monooxygenases

Olivier Schicke , Bruno Faure , Yannick Carissan , Michel Giorgi , Ariane Jalila Simaan et al.
European Journal of Inorganic Chemistry, 2015, 2015 (21), pp.3512 - 3518. ⟨10.1002/ejic.201500280⟩
Journal articles istex hal-01475430v1

Hydrogen abstraction from biphenyl, acenaphthylene, naphthalene and phenanthrene by atomic hydrogen and methyl radical: DFT and G3(MP2)-RAD data

Yannick Carissan , Wim Klopper
Journal of Molecular Structure: THEOCHEM, 2010, 940 (1-3), pp.115 - 118. ⟨10.1016/j.theochem.2009.10.017⟩
Journal articles hal-01447590v1
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BenzAI: A Program to Design Benzenoids With Defined Properties Using Constraint Programming

Adrien Varet , Nicolas Prcovic , Cyril Terrioux , Denis Hagebaum-Reignier , Yannick Carissan et al.
Journal of Chemical Information and Modeling, 2022, 62 (11), pp.2811--2820. ⟨10.1021/acs.jcim.2c00353⟩
Journal articles hal-03691364v1
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Synthesis, Photophysical Properties, and Aromaticity of Pyrazine-Fused Tetrazapentalenes

Vincent S Gutierrez , Axel Arnault , Véronique Ferreira , Albert Artigas , Denis Hagebaum-Reignier et al.
Journal of Organic Chemistry, 2022, 87 (21), pp.13653-13662. ⟨10.1021/acs.joc.2c01308⟩
Journal articles hal-03856904v1
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Recasting Wave Functions into Valence Bond Structures: A Simple Projection Method to Describe Excited States

Julien Racine , Denis Hagebaum-Reignier , Yannick Carissan , Stephane Humbel
Journal of Computational Chemistry, 2016, 37 (8), pp.771-779. ⟨10.1002/jcc.24267⟩
Journal articles hal-01306875v1
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Mesomerism, Ring & Substituent Effects, A Computational Chemistry Experiments

Djameleddine Khatmi , Yannick Carissan , Denis Hagebaum-Reignier , Nicolas Goudard , Stéphane Humbel et al.
journal of laboratory chemical education, 2016, 4 (2), pp.25-34. ⟨10.5923/j.jlce.20160402.01⟩
Journal articles hal-01347226v1

On the Catalysis of the Cycloisomerization of 1,6-Dienes with Tin(IV) Salts: The Important Role of a Water Molecule

Paola Nava , Yannick Carissan , Jean Drujon , Fanny Grau , Julien Godeau et al.
ChemCatChem, 2014, ChemCatChem, 6, pp.500 - 507. ⟨10.1002/cctc.201300952⟩
Journal articles istex hal-01347469v1