Works matching AU Daniel, Chantal

Results: 21

Cover Feature: Phosphorescent Cationic Heterodinuclear IrIII/MI Complexes (M=CuI, AuI) with a Hybrid Janus‐Type N‐Heterocyclic Carbene Bridge (Chem. Eur. J. 51/2020).

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 51, p. 11658, doi. 10.1002/chem.202003724

By:

Bonfiglio, Anna;
Pallova, Lenka;
César, Vincent;
Gourlaouen, Christophe;
Bellemin‐Laponnaz, Stéphane;
Daniel, Chantal;
Polo, Federico;
Mauro, Matteo

Publication type:

Article

Phosphorescent Cationic Heterodinuclear IrIII/MI Complexes (M=CuI, AuI) with a Hybrid Janus‐Type N‐Heterocyclic Carbene Bridge.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 51, p. 11751, doi. 10.1002/chem.202002767

By:

Bonfiglio, Anna;
Pallova, Lenka;
César, Vincent;
Gourlaouen, Christophe;
Bellemin‐Laponnaz, Stéphane;
Daniel, Chantal;
Polo, Federico;
Mauro, Matteo

Publication type:

Article

Non‐Symmetrical Sterically Challenged Phenanthroline Ligands and Their Homoleptic Copper(I) Complexes with Improved Excited‐State Properties.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 51, p. 11887, doi. 10.1002/chem.202001209

By:

Gimeno, Lea;
Blart, Errol;
Rebilly, Jean‐Noël;
Coupeau, Marina;
Allain, Magali;
Roisnel, Thierry;
Quarré de Verneuil, Alexis;
Gourlaouen, Christophe;
Daniel, Chantal;
Pellegrin, Yann

Publication type:

Article

Photochemistry of CH3Mn(CO)5: A multiconfigurational ab initio study.

Published in:

Journal of Computational Chemistry, 2006, v. 27, n. 15, p. 1781, doi. 10.1002/jcc.20483

By:

González, Leticia;
Daniel, Chantal

Publication type:

Article

Charge‐Transfer versus Charge‐Separated Triplet Excited States of [ReI(dmp)(CO)3(His124)(Trp122)]+ in Water and in Modified Pseudomonas aeruginosa Azurin Protein.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 10, p. 2519, doi. 10.1002/chem.201803685

By:

Marazzi, Marco;
Gattuso, Hugo;
Fumanal, Maria;
Daniel, Chantal;
Monari, Antonio

Publication type:

Article

Absorption Spectroscopy and Photophysics of a ReI‐dppz Probe for DNA‐Mediated Charge Transport.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 54, p. 14425, doi. 10.1002/chem.201801980

By:

Fumanal, Maria;
Vela, Sergi;
Gattuso, Hugo;
Monari, Antonio;
Daniel, Chantal

Publication type:

Article

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

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 40, p. 12901, doi. 10.1002/chem.201402963

By:

Véry, Thibaut;
Ambrosek, David;
Otsuka, Miho;
Gourlaouen, Christophe;
Assfeld, Xavier;
Monari, Antonio;
Daniel, Chantal

Publication type:

Article

IrIII−Pyridoannelated N‐Heterocyclic Carbene Complexes: Potent Theranostic Agents via Mitochondria Targeting.

Published in:

European Journal of Inorganic Chemistry, 2021, v. 2021, n. 16, p. 1551, doi. 10.1002/ejic.202100132

By:

Bonfiglio, Anna;
McCartin, Conor;
Carrillo, Ulises;
Cebrián, Cristina;
Gros, Philippe C.;
Fournel, Sylvie;
Kichler, Antoine;
Daniel, Chantal;
Mauro, Matteo

Publication type:

Article

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

Published in:

Journal of Molecular Modeling, 2017, v. 23, n. 5, p. 1, doi. 10.1007/s00894-017-3321-0

By:

Schweitzer, Benjamin;
Daniel, Chantal;
Gourlaouen, Christophe

Publication type:

Article

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

Published in:

ChemPlusChem, 2023, v. 88, n. 11, p. 1, doi. 10.1002/cplu.202300303

By:

Giuso, Valerio;
Yang, Jeannine;
Forté, Jérémy;
Dossmann, Héloïse;
Daniel, Chantal;
Gourlaouen, Christophe;
Mauro, Matteo;
Bertrand, Benoît

Publication type:

Article

trans–cis Photoisomerization of the Styrylpyridine Ligand in [Re(CO)3(2,2′-bipyridine)(t-4-styrylpyridine)]+: Role of the Metal-to-Ligand Charge-Transfer Excited States.

Published in:

Chemistry - A European Journal, 2006, v. 12, n. 18, p. 4835, doi. 10.1002/chem.200501082

By:

Julien Bossert;
Chantal Daniel

Publication type:

Article

Photodissociation and Electronic Spectroscopy of [Re(H)(CO)3(H-dab)] (H-dab=1,4-diaza-1,3-butadiene): Quantum Wavepacket Dynamics Based on Ab Initio Potentials.

Published in:

Chemistry - A European Journal, 2002, v. 8, n. 6, p. 1361, doi. 10.1002/1521-3765(20020315)8:6<1361::AID-CHEM1361>3.0.CO;2-E

By:

Bruand-Cote, Isabelle;
Daniel, Chantal

Publication type:

Article

Le Centre d'Information de la Recherche historique en France.

Published in:

French Historical Studies, 1972, v. 7, n. 3, p. 451, doi. 10.2307/286223

By:

Daniel, Chantal

Publication type:

Article

Structural and Optical Properties of Metal-Nitrosyl Complexes †.

Published in:

Molecules, 2019, v. 24, n. 20, p. 3638, doi. 10.3390/molecules24203638

By:

Daniel, Chantal;
Gourlaouen, Christophe;
Boucekkine, Abdou

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2019, v. 40, n. 1, p. 72, doi. 10.1002/jcc.25535

By:

Fumanal, Maria;
Harabuchi, Yu;
Gindensperger, Etienne;
Maeda, Satoshi;
Daniel, Chantal

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 27, p. 2454, doi. 10.1002/jcc.24469

By:

Fumanal, Maria;
Daniel, Chantal

Publication type:

Article

Towards Optimized Photoluminescent Copper(I) Phenanthroline-Functionalized Complexes: Control of the Photophysics by Symmetry-Breaking and Spin–Orbit Coupling.

Published in:

Materials (1996-1944), 2022, v. 15, n. 15, p. 5222, doi. 10.3390/ma15155222

By:

Gourlaouen, Christophe;
Daniel, Chantal

Publication type:

Article

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

Published in:

ChemPhysChem, 2021, v. 22, n. 5, p. 509, doi. 10.1002/cphc.202000868

By:

Gourlaouen, Christophe;
Hamano, Ai;
Takano, Keiko;
Daniel, Chantal

Publication type:

Article

Spin-orbit absorption spectroscopy of transition metal hydrides: A TD-DFT and MS-CASPT2 study of HM(CO)5 (M = Mn, Re).

Published in:

International Journal of Quantum Chemistry, 2012, v. 112, n. 9, p. 2085, doi. 10.1002/qua.23219

By:

Brahim, Houari;
Daniel, Chantal;
Rahmouni, Ali

Publication type:

Article

Spectroscopic trends in a series of Re(I) α-diimine complexes as a function of the antenna/photoisomerizable ligands: a TD-DFT and MS-CASPT2 study.

Published in:

Canadian Journal of Chemistry, 2014, v. 92, n. 10, p. 979, doi. 10.1139/cjc-2014-0069

By:

Kayanuma, Megumi;
Daniel, Chantal;
Gindensperger, Etienne

Publication type:

Article

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

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 2, p. 1, doi. 10.1007/s00214-015-1780-x

By:

Alam, Md. Mehboob;
Daniel, Chantal

Publication type:

Article

Works matching AU Daniel, Chantal

Cover Feature: Phosphorescent Cationic Heterodinuclear Ir<sup>III</sup>/M<sup>I</sup> Complexes (M=Cu<sup>I</sup>, Au<sup>I</sup>) with a Hybrid Janus‐Type N‐Heterocyclic Carbene Bridge (Chem. Eur. J. 51/2020).

Phosphorescent Cationic Heterodinuclear Ir<sup>III</sup>/M<sup>I</sup> Complexes (M=Cu<sup>I</sup>, Au<sup>I</sup>) with a Hybrid Janus‐Type N‐Heterocyclic Carbene Bridge.

Non‐Symmetrical Sterically Challenged Phenanthroline Ligands and Their Homoleptic Copper(I) Complexes with Improved Excited‐State Properties.

Photochemistry of CH<sub>3</sub>Mn(CO)<sub>5</sub>: A multiconfigurational ab initio study.

Charge‐Transfer versus Charge‐Separated Triplet Excited States of [Re<sup>I</sup>(dmp)(CO)<sub>3</sub>(His124)(Trp122)]<sup>+</sup> in Water and in Modified Pseudomonas aeruginosa Azurin Protein.

Absorption Spectroscopy and Photophysics of a Re<sup>I</sup>‐dppz Probe for DNA‐Mediated Charge Transport.

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

Ir<sup>III</sup>−Pyridoannelated N‐Heterocyclic Carbene Complexes: Potent Theranostic Agents via Mitochondria Targeting.

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

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

trans–cis Photoisomerization of the Styrylpyridine Ligand in [Re(CO)3(2,2′-bipyridine)(t-4-styrylpyridine)]+: Role of the Metal-to-Ligand Charge-Transfer Excited States.

Photodissociation and Electronic Spectroscopy of [Re(H)(CO)<sub>3</sub>(H-dab)] (H-dab=1,4-diaza-1,3-butadiene): Quantum Wavepacket Dynamics Based on Ab Initio Potentials.

Le Centre d'Information de la Recherche historique en France.

Structural and Optical Properties of Metal-Nitrosyl Complexes †.

Excited‐State Reactivity of [Mn(im)(CO)<sub>3</sub>(phen)]<sup>+</sup>: A Structural Exploration.

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

Towards Optimized Photoluminescent Copper(I) Phenanthroline-Functionalized Complexes: Control of the Photophysics by Symmetry-Breaking and Spin–Orbit Coupling.

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

Spin-orbit absorption spectroscopy of transition metal hydrides: A TD-DFT and MS-CASPT2 study of HM(CO)<sub>5</sub> (M = Mn, Re).

Spectroscopic trends in a series of Re(I) α-diimine complexes as a function of the antenna/photoisomerizable ligands: a TD-DFT and MS-CASPT2 study.

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