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	Pour les 51 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

		One- and two-photon activity of diketopyrrolopyrrole-Zn-porphyrin conjugates: linear and quadratic density functional response theory applied to model systems Md. Mehboob Alam , Chantal Daniel Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2016, 135 (2), ⟨10.1007/s00214-015-1780-x⟩ Article dans une revue hal-02571335v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Are luminescent Ru2+ chelated complexes selective coordinative sensors for the detection of heavy cations ? Christophe Gourlaouen , Benjamin Schweitzer , Chantal Daniel Physical Chemistry Chemical Physics, 2021, ⟨10.1039/D1CP04442G⟩ Article dans une revue hal-03515891v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Antiperlecan antibodies are novel accelerators of immune-mediated vascular injury. H Cardinal , M Dieudé , N Brassard , S Qi , N Patey , et al. American Journal of Transplantation, 2013, 13 (4), pp.861-74. ⟨10.1111/ajt.12168⟩ Article dans une revue pasteur-01130364v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Comprehensive investigation of the electronic excitation of W(CO) 6 by photoabsorption and theoretical analysis in the energy region from 3.9 to 10.8 eV Mónica Mendes , Khrystyna Regeta , Filipe Ferreira da Silva , Nykola C. Jones , Søren Vrønning Hoffmann , et al. Beilstein Journal of Nanotechnology, 2017, 8 (9), pp.2208-2218. ⟨10.3762/bjnano.8.220⟩ Article dans une revue hal-02571353v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Luminescent Dinuclear Copper(I) Complexes as Potential Thermally Activated Delayed Fluorescence (TADF) Emitters: A Theoretical Study Ange Stoïanov , Christophe Gourlaouen , Sergi Vela , Chantal Daniel Journal of Physical Chemistry A, 2018, 122 (5), pp.1413-1421. ⟨10.1021/acs.jpca.7b11793⟩ Article dans une revue hal-02615054v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Experimental study of mass transfer in a dense bubble swarm Damien Colombet , Dominique Legendre , Arnaud Cockx , Pascal Guiraud , Frederic Risso , et al. Chemical Engineering Science, 2011, 66 (14), pp.3432-3440. ⟨10.1016/j.ces.2011.01.020⟩ Article dans une revue hal-02115985v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Highly Emissive Red Heterobimetallic Ir III /M I (M I = Cu I and Au I ) Complexes for Efficient Light-Emitting Electrochemical Cells Anna Bonfiglio , Pei-Wan Hsiao , Yin Chen , Christophe Gourlaouen , Quentin Marchand , et al. Chemistry of Materials, 2022, 34 (4), pp.1756-1769. ⟨10.1021/acs.chemmater.1c03972⟩ Article dans une revue hal-03789493v1	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
		Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes Felix Plasser , Sebastian Mai , Maria Fumanal , Etienne Gindensperger , Chantal Daniel , et al. Journal of Chemical Theory and Computation, 2019, 15 (9), pp.5031-5045. ⟨10.1021/acs.jctc.9b00525⟩ Article dans une revue hal-03037918v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ultrafast Intersystem Crossing vs Internal Conversion in α-Diimine Transition Metal Complexes: Quantum Evidence Maria Fumanal , Etienne Gindensperger , Chantal Daniel Journal of Physical Chemistry Letters, 2018, 9 (17), pp.5189-5195. ⟨10.1021/acs.jpclett.8b02319⟩ Article dans une revue hal-02288986v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Density Functional Theories and Coordination Chemistry Chantal Daniel Edwin C. Constable; Gerard Parkin; Lawrence Que Jr. Comprehensive Coordination Chemistry III : Volume 2 - Fundamentals: Characterization Methods, Theoretical Analysis, and Case Studies, 2, Elsevier, pp.256-275, 2021, 978-0-08-102689-2. ⟨10.1016/B978-0-12-409547-2.14828-0⟩ Chapitre d'ouvrage hal-03716953v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin–Vibronic Quantum Dynamics Yu Harabuchi , Julien Eng , Etienne Gindensperger , Tetsuya Taketsugu , Satoshi Maeda , et al. Journal of Chemical Theory and Computation, 2016, 12 (5), pp.2335-2345. ⟨10.1021/acs.jctc.6b00080⟩ Article dans une revue hal-02289236v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Heteroleptic diimine copper(i) complexes with large extinction coefficients: synthesis, quantum chemistry calculations and physico-chemical properties. Martina Sandroni , Megumi Kayanuma , Mateusz Rebarz , Huriye Akdas-Kilig , Yann Pellegrin , et al. Dalton Transactions, 2013, 42 (40), pp.14628-14638. ⟨10.1039/c3dt51288f⟩ Article dans une revue hal-00861248v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory Thibaut Véry , David Ambrosek , Miho Otsuka , Christophe Gourlaouen , Xavier Assfeld , et al. Chemistry - A European Journal, 2014, 20 (40), pp.12901-12909. ⟨10.1002/chem.201402963⟩ Article dans une revue istex hal-02187418v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Binuclear Biphenyl Organogold(III) Complexes: Synthesis, Photophysical and Theoretical Investigation, and Anticancer Activity Valerio Giuso , Jeannine Yang , Jérémy Forté , Héloïse Dossmann , Chantal Daniel , et al. ChemPlusChem, 2023, 88 (11), pp.e202300303. ⟨10.1002/cplu.202300303⟩ Article dans une revue hal-04208146v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Structures and spectral properties of heteroleptic copper (I) complexes: A theoretical study based on density functional theory Megumi Kayanuma , Narayan Bera , Martina Sandroni , Yann Pellegrin , Errol Blart , et al. Comptes Rendus. Chimie, 2012, 15 (2-3, SI), pp.255-266. ⟨10.1016/j.crci.2011.10.010⟩ Article dans une revue hal-02142703v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Interstate vibronic coupling constants between electronic excited states for complex molecules Maria Fumanal , Felix Plasser , Sebastian Mai , Chantal Daniel , Etienne Gindensperger Journal of Chemical Physics, 2018, 148 (12), pp.124119. ⟨10.1063/1.5022760⟩ Article dans une revue hal-02296559v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Substituent effects on the photophysical properties of 2,9‐substituted phenanthroline copper(I) complexes: a theoretical investigation Christophe Gourlaouen , Keiko Takano , Ai Hamano , Chantal Daniel ChemPhysChem, 2021, 22, pp.509-515. ⟨10.1002/cphc.202000868⟩ Article dans une revue hal-03034539v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Efficacy and safety of vaginally administered lyophilized Lactobacillus crispatus IP 174178 in the prevention of bacterial vaginosis recurrence (vol 47, pg 81, 2018) J. M. Bohbot , E. Darai , F. Bretelle , G. Brami , C. Daniel , et al. Journal of Gynecology Obstetrics and Human Reproduction, 2018, 47 (4), pp.177. ⟨10.1016/j.jogoh.2018.03.005⟩ Article dans une revue hal-01858890v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On single bubble mass transfer in a volatile liquid Damien Colombet , Dominique Legendre , U. Tuttlies , Arnaud Cockx , Pascal Guiraud , et al. International Journal of Heat and Mass Transfer, 2018, 125, pp.1144-1155. ⟨10.1016/j.ijheatmasstransfer.2018.04.149⟩ Article dans une revue hal-01886489v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Cost-effectiveness of three strategies for second-line erlotinib initiation in nonsmall-cell lung cancer: the ERMETIC study part 3 I. Borget , J. Cadranel , J.-P. Pignon , E. Quoix , B. Coudert , et al. European Respiratory Journal, 2011, 39 (1), pp.172-179. ⟨10.1183/09031936.00201210⟩ Article dans une revue hal-03172552v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes Felix Plasser , Sebastian Mai , Maria Fumanal , Etienne Gindensperger , Chantal Daniel , et al. Journal of Chemical Theory and Computation, 2019, 15 (9), pp.5031-5045. ⟨10.1021/acs.jctc.9b00525⟩ Article dans une revue hal-02288980v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Description of excited states in [Re(Imidazole)(CO) 3 (Phen)] + including solvent and spin-orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach Maria Fumanal , Chantal Daniel Journal of Computational Chemistry, 2016, 37 (27), pp.2454-2466. ⟨10.1002/jcc.24469⟩ Article dans une revue istex hal-02571340v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects Sebastian Mai , Hugo Gattuso , Maria Fumanal , Aurora Muñoz-Losa , Antonio Monari , et al. Physical Chemistry Chemical Physics, 2017, 19 (40), pp.27240-27250. ⟨10.1039/c7cp05126c⟩ Article dans une revue hal-02571369v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Are luminescent Ru 2+ chelated complexes selective coordinative sensors for the detection of heavy cations? Christophe Gourlaouen , Benjamin Schweitzer , Chantal Daniel Physical Chemistry Chemical Physics, 2022, 24 (4), pp.2309-2317. ⟨10.1039/D1CP04442G⟩ Article dans une revue hal-04016078v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Excited-State Reactivity of [Mn(im)(CO) 3 (phen)] + : A Structural Exploration Maria Fumanal , Yu Harabuchi , Etienne Gindensperger , Satoshi Maeda , Chantal Daniel Journal of Computational Chemistry, 2019, 40 (1), pp.72-81. ⟨10.1002/jcc.25535⟩ Article dans une revue hal-02399602v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Chemical bonding alteration upon electronic excitation in transition metal complexes Chantal Daniel , Christophe Gourlaouen Coordination Chemistry Reviews, 2017, 344, pp.131-149. ⟨10.1016/j.ccr.2016.10.010⟩ Article dans une revue hal-02571357v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Metal–metal bonding in 1st, 2nd and 3rd row transition metal complexes: a topological analysis Benjamin Schweitzer , Chantal Daniel , Christophe Gourlaouen Journal of Molecular Modeling, 2017, 23 (5), ⟨10.1007/s00894-017-3321-0⟩ Article dans une revue hal-02571361v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spin-Vibronic Mechanism for Intersystem Crossing Thomas Penfold , Etienne Gindensperger , Chantal Daniel , Christel Marian Chemical Reviews, 2018, 118 (15), pp.6975-7025. ⟨10.1021/acs.chemrev.7b00617⟩ Article dans une revue hal-02288976v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spin-Vibronic Quantum Dynamics for Ultrafast Excited-State Processes Julien Eng , Christophe Gourlaouen , Etienne Gindensperger , Chantal Daniel Accounts of Chemical Research, 2015, 48 (3), pp.809-817. ⟨10.1021/ar500369r⟩ Article dans une revue hal-02293126v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

One- and two-photon activity of diketopyrrolopyrrole-Zn-porphyrin conjugates: linear and quadratic density functional response theory applied to model systems

Are luminescent Ru2+ chelated complexes selective coordinative sensors for the detection of heavy cations ?

Antiperlecan antibodies are novel accelerators of immune-mediated vascular injury.

Comprehensive investigation of the electronic excitation of W(CO) 6 by photoabsorption and theoretical analysis in the energy region from 3.9 to 10.8 eV

Luminescent Dinuclear Copper(I) Complexes as Potential Thermally Activated Delayed Fluorescence (TADF) Emitters: A Theoretical Study

Experimental study of mass transfer in a dense bubble swarm

Highly Emissive Red Heterobimetallic Ir III /M I (M I = Cu I and Au I ) Complexes for Efficient Light-Emitting Electrochemical Cells

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

Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes

Ultrafast Intersystem Crossing vs Internal Conversion in α-Diimine Transition Metal Complexes: Quantum Evidence

Density Functional Theories and Coordination Chemistry

Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin–Vibronic Quantum Dynamics

Heteroleptic diimine copper(i) complexes with large extinction coefficients: synthesis, quantum chemistry calculations and physico-chemical properties.

Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory

Binuclear Biphenyl Organogold(III) Complexes: Synthesis, Photophysical and Theoretical Investigation, and Anticancer Activity

Structures and spectral properties of heteroleptic copper (I) complexes: A theoretical study based on density functional theory

Interstate vibronic coupling constants between electronic excited states for complex molecules

Substituent effects on the photophysical properties of 2,9‐substituted phenanthroline copper(I) complexes: a theoretical investigation

Efficacy and safety of vaginally administered lyophilized Lactobacillus crispatus IP 174178 in the prevention of bacterial vaginosis recurrence (vol 47, pg 81, 2018)

On single bubble mass transfer in a volatile liquid

Cost-effectiveness of three strategies for second-line erlotinib initiation in nonsmall-cell lung cancer: the ERMETIC study part 3

Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes

Description of excited states in [Re(Imidazole)(CO) 3 (Phen)] + including solvent and spin-orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach

Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects

Are luminescent Ru 2+ chelated complexes selective coordinative sensors for the detection of heavy cations?

Excited-State Reactivity of [Mn(im)(CO) 3 (phen)] + : A Structural Exploration

Chemical bonding alteration upon electronic excitation in transition metal complexes

Metal–metal bonding in 1st, 2nd and 3rd row transition metal complexes: a topological analysis

Spin-Vibronic Mechanism for Intersystem Crossing

Spin-Vibronic Quantum Dynamics for Ultrafast Excited-State Processes