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	Pour les 85 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 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

		Synthesis and Computational Study of a Pyridylcarbene Fe(II) Complex: Unexpected Effects of fac / mer Isomerism in Metal-to-Ligand Triplet Potential Energy Surfaces Antonio Francés-Monerris , Kevin Magra , Mohamed Darari , Cristina Cebrian , Marc Beley , et al. Inorganic Chemistry, 2018, 57 (16), pp.10431 - 10441. ⟨10.1021/acs.inorgchem.8b01695⟩ Article dans une revue hal-01858716v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Key Building Block of Photoresponsive Biomimetic Systems Guillem Revilla-Lopez , Adele D. Laurent , Eric A. Perpete , Denis Jacquemin , Juan Torras , et al. Journal of Physical Chemistry B, 2011, 115 (5), pp.1232-1242. ⟨10.1021/jp108341a⟩ Article dans une revue hal-01389034v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level Elise Dumont , Meilani Wibowo , Daniel Roca-Sanjuán , Marco Garavelli , Xavier Assfeld , et al. Journal of Physical Chemistry Letters, 2015, 6, pp.576-580. ⟨10.1021/jz502562d⟩ Article dans une revue hal-01114786v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Toward a Quantitative Assessment of Electronic Transitions’ Charge-Transfer Character Thibaud Etienne , Xavier Assfeld , Antonio Monari Journal of Chemical Theory and Computation, 2014, 10 (9), pp.3896 - 3905. ⟨10.1021/ct5003994⟩ Article dans une revue hal-01913570v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Effects of mutations on the absorption spectra of copper proteins: a QM/MM study Antonio Monari , Thibaut Véry , Jean-Louis Rivail , Xavier Assfeld Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2012, 131 (5), ⟨10.1007/s00214-012-1221-z⟩ Article dans une revue istex hal-02189249v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Huge Disulfide-Linkage’S Electron Capture Variation Induced by α-Helix Orientation Elise Dumont , Pierre-François Loos , Adele D. Laurent , Xavier Assfeld Journal of Chemical Theory and Computation, 2008, 4 (8), pp.1171-1173. ⟨10.1021/ct800161m⟩ Article dans une revue hal-01116239v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Toward Luminescent Iron Complexes: Unravelling the Photophysics by Computing Potential Energy Surfaces Antonio Francés‐monerris , Philippe Gros , Xavier Assfeld , Antonio Monari , Mariachiara Pastore ChemPhotoChem, 2019, 3 (9), pp.666-683. ⟨10.1002/cptc.201900100⟩ Article dans une revue hal-03445128v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Photophysical properties of bichromophoric Fe(II) complexes bearing an aromatic electron acceptor Antonio Francés-Monerris , Philippe Gros , Mariachiara Pastore , Xavier Assfeld , Antonio Monari Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2019, 138 (86), pp.138:86. ⟨10.1007/s00214-019-2471-9⟩ Article dans une revue hal-03445134v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks Pierre-François Loos , Elise Dumont , Adele D. Laurent , Xavier Assfeld Chemical Physics Letters, 2009, 475 (1-3), pp.120-123. ⟨10.1016/j.cplett.2009.05.041⟩ Article dans une revue istex hal-01116187v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electrostatic interactions in peptides. Polarisation effects due to an alpha helix. Xavier Assfeld , N. Ferré , Rivail J.-L. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2004, 111, pp.328 Article dans une revue hal-00091772v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Etude théorique de réactions chimiques en phase liquide à l'aide du modèle du champ de réaction auto-cohérent Xavier Assfeld Chimie. Université Henri Poincaré - Nancy 1, 1994. Français. ⟨NNT : 1994NAN10071⟩ Thèse tel-01777327v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical investigation of the geometries and UV-vis spectra of poly(L-glutamic acid) featuring a photochromic azobenzene side chain Pierre-François Loos , Julien Preat , Adele D. Laurent , Catherine Michaux , Denis Jacquemin , et al. Journal of Chemical Theory and Computation, 2008, 4 (4), pp.637-645. ⟨10.1021/ct700188w⟩ Article dans une revue hal-01389039v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds Elise Dumont , Pierre-Francois Loos , Adele D. Laurent , Xavier Assfeld International Journal of Quantum Chemistry Symposium, 2010, 110 (3), pp.513-523. ⟨10.1002/qua.22072⟩ Article dans une revue istex hal-01116181v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spectral properties of polypyridyl ruthenium complexes intercalated in DNA: theoretical insights into the surrounding effects of [Ru(dppz)(bpy)2]2+ Thibaut Véry , Stéphane Despax , Pascal Hebraud , Antonio Monari , Xavier Assfeld Physical Chemistry Chemical Physics, 2012, 14 (36), pp.12496. ⟨10.1039/C2CP40935F⟩ Article dans une revue hal-02189248v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Intersulfur Distance Is a Key Factor in Tuning Disulfide Radical Anion Vertical UV−Visible Absorption Elise Dumont , Adele D. Laurent , Xavier Assfeld Journal of Physical Chemistry Letters, 2010, 1 (2), pp.581-586. ⟨10.1021/jz900214e⟩ Article dans une revue hal-01116178v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Stimuli-responsive emission of quinoxalinone-based compounds. From experimental findings to theoretical insight by means of multiscale computational spectroscopy approaches Timur Burganov , Sergey Katsyuba , Antonio Monari , Alexey Kalinin , Sirina Sharipova , et al. Surfaces and Interfaces, 2021, ⟨10.1016/j.dyepig.2020.108797⟩ Article dans une revue hal-03753199v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Micellar extraction of amino acids using chiral hydrophobic selectors. A comparison with chromatographic procedures Marc Hébrant , Pierre Burgoss , Xavier Assfeld , Jean-Pierre Joly Journal of the Chemical Society, Perkin Transactions 2, 2001, 181 (6), pp.998 - 1004. ⟨10.1039/b009022k⟩ Article dans une revue istex hal-01795584v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties Thibaut Duchanois , Thibaud Etienne , Marc Beley , Xavier Assfeld , Eric A. Perpete , et al. European Journal of Inorganic Chemistry, 2014, 23, pp.3747-3753. ⟨10.1002/ejic.201402356⟩ Article dans une revue istex hal-01494414v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		2,5-Dithienylpyrrole (DTP) as a donor component in DTP–π–A organic sensitizers: photophysical and photovoltaic properties Walid Sharmoukh , Antonio Attanzio , Eva Busatto , Thibaud Etienne , Stefano Carli , et al. RSC Advances, 2015, 5 (6), pp.4041 - 4050. ⟨10.1039/C4RA10342D⟩ Article dans une revue hal-01913513v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Effect of the Enhanced Cyan Fluorescent Protein Framework on the UV/Visible Absorption Spectra of Some Chromophores Adele D. Laurent , Xavier Assfeld INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2010, 2 (1, SI), pp.38-47. ⟨10.1007/s12539-010-0084-z⟩ Article dans une revue hal-01389035v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic structure and optical properties of isolated and TiO 2 ‐grafted free base porphyrins for water oxidation Syrine Daoudi , Abderrahmane Semmeq , Michael Badawi , Xavier Assfeld , Youssef Arfaoui , et al. Journal of Computational Chemistry, 2019, 40 (29), pp.2530-2538. ⟨10.1002/jcc.26027⟩ Article dans une revue hal-02395781v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ultrafast Spectroscopy of Fe(II) Complexes Designed for Solar‐Energy Conversion: Current Status and Open Questions Cristina Cebrian Avila , Mariachiara Pastore , Antonio Monari , Xavier Assfeld , Philippe Gros , et al. ChemPhysChem, 2022, 23 (7), ⟨10.1002/cphc.202100659⟩ Article dans une revue hal-03871100v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Strong π-delocalization and substitution effect on electronic properties of dithienylpyrrole-containing bipyridine ligands and corresponding ruthenium complexes Sajida Noureen , Stefano Caramori , Antonio Monari , Xavier Assfeld , Roberto Argazzi , et al. Dalton Transactions, 2012, 41 (16), pp.4833. ⟨10.1039/C2DT12367C⟩ Article dans une revue hal-02189257v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Circular Dichroism of DNA G-Quadruplexes: Combining Modeling and Spectroscopy To Unravel Complex Structures Hugo Gattuso , Angelo Spinello , Alessio Terenzi , Xavier Assfeld , Giampaolo Barone , et al. Journal of Physical Chemistry B, 2016, 120 (12), pp.3113-3121. ⟨10.1021/acs.jpcb.6b00634⟩ Article dans une revue hal-02185733v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A QM/MM study on the spinach plastocyanin: Redox properties and absorption spectra Antonio Monari , Thibaut Véry , Jean-Louis Rivail , Xavier Assfeld Computational and Theoretical Chemistry, 2012, 990, pp.119-125. ⟨10.1016/j.comptc.2011.11.026⟩ Article dans une revue hal-02189804v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		New Insight into the Topology of Excited States through Detachment/Attachment Density Matrices-Based Centroids of Charge Thibaud Etienne , Xavier Assfeld , Antonio Monari Journal of Chemical Theory and Computation, 2014, 10 (9), pp.3906 - 3914. ⟨10.1021/ct500400s⟩ Article dans une revue hal-01913547v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Novel quinoxalinone-based push–pull chromophores with highly sensitive emission and absorption properties towards small structural modifications T. Burganov , S. Katsyuba , S. Sharipova , A. Kalinin , A. Monari , et al. Physical Chemistry Chemical Physics, 2018, 20 (33), pp.21515-21527. ⟨10.1039/C8CP03780A⟩ Article dans une revue hal-02184634v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical evidence of photo-induced charge transfer from DNA to intercalated ruthenium (II) organometallic complexes Agisilaos Chantzis , Thibaut Véry , Chantal Daniel , Antonio Monari , Xavier Assfeld Chemical Physics Letters, 2013, 578, pp.133-137. ⟨10.1016/j.cplett.2013.05.068⟩ Article dans une revue hal-02189217v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		New dyads using (metallo)porphyrins as ancillary ligands in polypyridine ruthenium complexes. Synthesis and electronic properties Fabien Lachaud , Christophe Jeandon , Antonio Monari , Xavier Assfeld , Marc Beley , et al. Dalton Transactions, 2012, 41 (41), pp.12865. ⟨10.1039/C2DT31656K⟩ Article dans une revue hal-02189256v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		2,5-Dithienylpyrrole (DTP) as a donor component in DTP-pi-A organic sensitizers: photophysical and photovoltaic properties Walid Sharmoukh , Antonio Attanzio , Eva Busatto , Thibaud Etienne , Stefano Carli , et al. RSC Advances, 2015, 5 (6), pp.4041-4050. ⟨10.1039/c4ra10342d⟩ Article dans une revue hal-01495200v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Synthesis and Computational Study of a Pyridylcarbene Fe(II) Complex: Unexpected Effects of fac / mer Isomerism in Metal-to-Ligand Triplet Potential Energy Surfaces

Key Building Block of Photoresponsive Biomimetic Systems

Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level

Toward a Quantitative Assessment of Electronic Transitions’ Charge-Transfer Character

Effects of mutations on the absorption spectra of copper proteins: a QM/MM study

Huge Disulfide-Linkage’S Electron Capture Variation Induced by α-Helix Orientation

Toward Luminescent Iron Complexes: Unravelling the Photophysics by Computing Potential Energy Surfaces

Photophysical properties of bichromophoric Fe(II) complexes bearing an aromatic electron acceptor

Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks

Electrostatic interactions in peptides. Polarisation effects due to an alpha helix.

Etude théorique de réactions chimiques en phase liquide à l'aide du modèle du champ de réaction auto-cohérent

Theoretical investigation of the geometries and UV-vis spectra of poly(L-glutamic acid) featuring a photochromic azobenzene side chain

Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds

Spectral properties of polypyridyl ruthenium complexes intercalated in DNA: theoretical insights into the surrounding effects of [Ru(dppz)(bpy)2]2+

Intersulfur Distance Is a Key Factor in Tuning Disulfide Radical Anion Vertical UV−Visible Absorption

Stimuli-responsive emission of quinoxalinone-based compounds. From experimental findings to theoretical insight by means of multiscale computational spectroscopy approaches

Micellar extraction of amino acids using chiral hydrophobic selectors. A comparison with chromatographic procedures

Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties

2,5-Dithienylpyrrole (DTP) as a donor component in DTP–π–A organic sensitizers: photophysical and photovoltaic properties

Effect of the Enhanced Cyan Fluorescent Protein Framework on the UV/Visible Absorption Spectra of Some Chromophores

Electronic structure and optical properties of isolated and TiO 2 ‐grafted free base porphyrins for water oxidation

Ultrafast Spectroscopy of Fe(II) Complexes Designed for Solar‐Energy Conversion: Current Status and Open Questions

Strong π-delocalization and substitution effect on electronic properties of dithienylpyrrole-containing bipyridine ligands and corresponding ruthenium complexes

Circular Dichroism of DNA G-Quadruplexes: Combining Modeling and Spectroscopy To Unravel Complex Structures

A QM/MM study on the spinach plastocyanin: Redox properties and absorption spectra

New Insight into the Topology of Excited States through Detachment/Attachment Density Matrices-Based Centroids of Charge

Novel quinoxalinone-based push–pull chromophores with highly sensitive emission and absorption properties towards small structural modifications

Theoretical evidence of photo-induced charge transfer from DNA to intercalated ruthenium (II) organometallic complexes

New dyads using (metallo)porphyrins as ancillary ligands in polypyridine ruthenium complexes. Synthesis and electronic properties

2,5-Dithienylpyrrole (DTP) as a donor component in DTP-pi-A organic sensitizers: photophysical and photovoltaic properties