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	Pour les 41 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 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

		Experimental and theoretical studies of the quenching of Li (3p,4p) by N2 V. Komaragiri , B. Mccarter , S. Bililign , D. Hagebaum-Reignier , V. Ledentu , et al. Journal of Chemical Physics, 2005, 123, pp.024303 Article dans une revue hal-00017197v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		First-order correction for bond energy applied to polar molecules: Alkali halides, alkali cyanides, LiCH3, and CH3F. Lee D.-K. , Lee Y.S. , D. Hagebaum-Reignier , Jeung G.-H. Chemical Physics, 2006, 327, pp.406 Article dans une revue hal-00092270v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical chemical ionization rate constants of the concurrent reactions of hydronium ions (H 3 O + ) and oxygen ions (O 2+) with selected organic iodides Rafal Strekowski , Coralie Alvarez , Jeanne Petrov-Stojanović , Denis Hagebaum-Reignier , Henri Wortham Journal of Mass Spectrometry, 2019, 54 (5), pp.422-428. ⟨10.1002/jms.4349⟩ Article dans une revue hal-02155671v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Calculating Hermitian Forms: The Importance of Considering Singular Points Somnath Bhowmick , Denis Hagebaum-Reignier , Gwang‐hi Jeung Bulletin- Korean Chemical Society, 2019, 41 (3), pp.254-260. ⟨10.1002/bkcs.11871⟩ Article dans une revue hal-02369787v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		HuLiS : Simple HÜckel and LewIS embedded in the Hückel theory Nicolas Goudard , Stéphane Humbel , Yannick Carissan , Denis Hagebaum-Reignier Drawing. Marseille, France. 2008 Image medihal-01587424v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hückel theory for Lewis structures: Hückel–Lewis Configuration Interaction (HL-CI) Denis Hagebaum-Reignier , Raphaël Girardi , Yannick Carissan , Stéphane Humbel Journal of Molecular Structure: THEOCHEM, 2007, 817 (1-3), pp.99 - 109. ⟨10.1016/j.theochem.2007.04.026⟩ Article dans une revue istex hal-01447600v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A generalized Brillouin theorem (GBT)-like implementation to optimize Valence Bond wave function for excited states Julien Racine , Yannick Carissan , Denis Hagebaum-Reignier , Stéphane Humbel Computational and Theoretical Chemistry, 2017, 1116, pp.184 - 189. ⟨10.1016/j.comptc.2017.01.019⟩ Article dans une revue hal-01469404v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		HuLiS a program to recast molecular orbital wave functions into Lewis structures Yannick Carissan , Denis Hagebaum-Reignier , Nicolas Goudard , Stéphane Humbel 5th International Conference on Mathematical Modeling in Physical Sciences, May 2016, Athènes, Greece Communication dans un congrès hal-01408046v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Synthesis, Photophysical Properties, and Aromaticity of Pyrazine-Fused Tetrazapentalenes Vincent Gutierrez , Axel Arnault , Véronique Ferreira , Albert Artigas , Denis Hagebaum-Reignier , et al. France. 2022 Image hal-03856911v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hückel-Lewis Projection Method: A “Weights Watcher” for Mesomeric Structures † Yannick Carissan , Denis Hagebaum-Reignier , Nicolas Goudard , Stéphane Humbel Journal of Physical Chemistry A, 2008, 112 (50), pp.13256 - 13262. ⟨10.1021/jp803813e⟩ Article dans une revue istex hal-01447595v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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 Chapitre d'ouvrage hal-02095737v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Communication dans un congrès hal-02931928v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic densities and valence bond wave functions D. Hagebaum-Reignier , J. Racine , Stéphane Humbel Journal of Chemical Physics, 2022, 156 (20), pp.204310. ⟨10.1063/5.0094554⟩ Article dans une revue hal-03678547v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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 Article dans une revue hal-01347244v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Experimental and theoretical studies of the quenching of Li (3p , 4p) by N2 Vivek Komaragiri , Benjamin Mccarter , Solomon Bililign , Denis Hagebaum-Reignier , Vincent Ledentu , et al. Journal of Chemical Physics, 2005, ⟨10.1063/1.1993588⟩ Article dans une revue hal-03561384v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Study on chemical kinetics of HTO + H2 → H2O + HT for design of tritium breeding blanket Michiko Ahn Furudate , Seungyon Cho , Denis Hagebaum-Reignier Fusion Engineering and Design, 2018, 136, Part A, pp.438-441. ⟨10.1016/j.fusengdes.2018.02.083⟩ Article dans une revue hal-01988705v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Analysis of the physical contributions to magnetic couplings in broken symmetry density functional theory approach. Esther Coulaud , Nathalie Guihéry , Jean-Paul Malrieu , Denis Hagebaum-Reignier , Didier Siri , et al. Journal of Chemical Physics, 2012, 137 (11), pp.114106. ⟨10.1063/1.4752412⟩ Article dans une revue hal-00864802v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Magnetic exchange coupling in bis-nitroxides: a theoretical analysis of the solvent effects Esther Coulaud , Denis Hagebaum-Reignier , Didier Siri , Paul Tordo , Nicolas Ferré Physical Chemistry Chemical Physics, 2012, 14 (16), pp.5504--5511. ⟨10.1039/c2cp23845d⟩ Article dans une revue hal-01415193v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-03856914v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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 Constraints, 2022, ⟨10.1007/s10601-022-09328-x⟩ Article dans une revue hal-03684890v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-03064338v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Synthesis, Photophysical Properties, and Aromaticity of Pyrazine-Fused Tetrazapentalenes Vincent 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⟩ Article dans une revue hal-03856904v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		BenzAI: A Program to Design Benzenoids With Defined Properties Using Constraint Programming Adrien Varet , Nicolas Prcovic , Cyril Terrioux , Denis Hagebaum-Reignier , Yannick Carissan Journal of Chemical Information and Modeling, 2022, 62 (11), pp.2811--2820. ⟨10.1021/acs.jcim.2c00353⟩ Article dans une revue hal-03691364v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Radical-assisted polymerisation in interstellar ice analogues: formyl radical and polyoxymethylene T. Butscher , Fabrice Duvernay , G. Danger , R Torro , G Lucas , et al. Monthly Notices of the Royal Astronomical Society: Letters, 2019, 486 (2), pp.1953-1963. ⟨10.1093/mnras/stz879⟩ Article dans une revue hal-02151784v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Overcrowded Triply Fused Carbo[7]helicene Albert Artigas , Florian Rigoulet , Michel Giorgi , Denis Hagebaum-Reignier , Yannick Carissan , et al. Journal of the American Chemical Society, 2023, 145 (28), pp.15084 - 15087. ⟨10.1021/jacs.3c05415⟩ Article dans une revue hal-04172611v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		HuLiS, a program to teach mesomerism and more Nicolas M Goudard , Denis M Hagebaum-Reignier , Stéphane Humbel , Yannick Carissan Journal of Physics: Conference Series, 2016, 738, pp.12015 - 12015. ⟨10.1088/1742-6596/738/1/012015⟩ Article dans une revue hal-01380727v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Mesomerism, Ring & Substituent Effects, A Computational Chemistry Experiments Djameleddine Khatmi , Yannick Carissan , Denis Hagebaum-Reignier , Nicolas Goudard , Stéphane Humbel journal of laboratory chemical education, 2016, 4 (2), pp.25-34. ⟨10.5923/j.jlce.20160402.01⟩ Article dans une revue hal-01347226v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-01306875v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Visualizing electron delocalization in contorted polycyclic aromatic hydrocarbons Albert Artigas , Yannick Carissan , Denis Hagebaum-Reignier , Yoann Coquerel Chemical Science, 2021, ⟨10.1039/D1SC03368A⟩ Article dans une revue hal-03340162v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

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Experimental and theoretical studies of the quenching of Li (3p,4p) by N2

First-order correction for bond energy applied to polar molecules: Alkali halides, alkali cyanides, LiCH3, and CH3F.

Theoretical chemical ionization rate constants of the concurrent reactions of hydronium ions (H 3 O + ) and oxygen ions (O 2+) with selected organic iodides

Calculating Hermitian Forms: The Importance of Considering Singular Points

HuLiS : Simple HÜckel and LewIS embedded in the Hückel theory

Hückel theory for Lewis structures: Hückel–Lewis Configuration Interaction (HL-CI)

A generalized Brillouin theorem (GBT)-like implementation to optimize Valence Bond wave function for excited states

HuLiS a program to recast molecular orbital wave functions into Lewis structures

Synthesis, Photophysical Properties, and Aromaticity of Pyrazine-Fused Tetrazapentalenes

Hückel-Lewis Projection Method: A “Weights Watcher” for Mesomeric Structures †

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

Computing the Local Aromaticity of Benzenoids Thanks to Constraint Programming

Electronic densities and valence bond wave functions

Weight Watchers électronique : calculez votre poids de formes résonantes

Experimental and theoretical studies of the quenching of Li (3p , 4p) by N2

Study on chemical kinetics of HTO + H2 → H2O + HT for design of tritium breeding blanket

Analysis of the physical contributions to magnetic couplings in broken symmetry density functional theory approach.

Magnetic exchange coupling in bis-nitroxides: a theoretical analysis of the solvent effects

Multidimensional Isotropic Magnetic Shielding Contour Maps for the Visualization of Aromaticity in ortho-Arynes and Their Reactions

Illustration de " A generalized Brillouin theorem (GBT)-like implementation to optimize Valence Bond wave function for excited states

How constraint programming can help chemists to generate Benzenoid structures and assess the local Aromaticity of Benzenoids

Stereoselective Syntheses, Structures and Properties of Extremely Distorted Chiral Nanographenes Embedding Hextuple Helicenes

Synthesis, Photophysical Properties, and Aromaticity of Pyrazine-Fused Tetrazapentalenes

BenzAI: A Program to Design Benzenoids With Defined Properties Using Constraint Programming

Radical-assisted polymerisation in interstellar ice analogues: formyl radical and polyoxymethylene

Overcrowded Triply Fused Carbo[7]helicene

HuLiS, a program to teach mesomerism and more

Mesomerism, Ring & Substituent Effects, A Computational Chemistry Experiments

Recasting Wave Functions into Valence Bond Structures: A Simple Projection Method to Describe Excited States

Visualizing electron delocalization in contorted polycyclic aromatic hydrocarbons

Study on chemical kinetics of HTO + H2 → H2O + HT for design of tritium breeding blanket