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Spin-Vibronic Mechanism for Intersystem Crossing

Chemical reviews, 2018-08, Vol.118 (15), p.6975-7025

2018

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

Materials, 2022-07, Vol.15 (15), p.5222

2022

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Structural and Optical Properties of Metal-Nitrosyl Complexes

Molecules (Basel, Switzerland), 2019-10, Vol.24 (20), p.3638

2019

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Photochemistry and photophysics of transition metal complexes: Quantum chemistry

Coordination chemistry reviews, 2015-01, Vol.282-283, p.19-32

Daniel, Chantal

2015

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

Chemphyschem, 2021-03, Vol.22 (5), p.509-515

2021

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Ultrafast processes: coordination chemistry and quantum theory

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (1), p.43-58

Daniel, Chantal

2021

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

Journal of chemical theory and computation, 2016-05, Vol.12 (5), p.2335-2345

2016

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Electronic and Photophysical Properties of [Re (L)(CO)3(phen)]+ and [Ru(L)2(bpy)2]2+ (L = imidazole), Building Units for Long-Range Electron Transfer in Modified Blue Copper Proteins

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-09, Vol.120 (35), p.6934-6943

2016

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Quantum Chemical Interpretation of Ultrafast Luminescence Decay and Intersystem Crossings in Rhenium(I) Carbonyl Bipyridine Complexes

Journal of chemical theory and computation, 2015-01, Vol.11 (1), p.99-110

2015

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

Chemistry : a European journal, 2014-09, Vol.20 (40), p.12901-12909

2014

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Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin–orbit calculations of [Re(imidazole)(CO) 3(phen)]

Coordination chemistry reviews, 2011-04, Vol.255 (7), p.975-989

2011

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Intriguing Effects of Halogen Substitution on the Photophysical Properties of 2,9-(Bis)halo-Substituted Phenanthrolinecopper(I) Complexes

Inorganic chemistry, 2019-06, Vol.58 (12), p.7730-7745

2019

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Inorganic photoisomerization: the case study of rhenium(I) complexes

Dalton transactions : an international journal of inorganic chemistry, 2012-11, Vol.41 (42), p.13191-13203

2012

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Ultrafast Excited-State Nonadiabatic Dynamics in Pt(II) Donor–Bridge–Acceptor Assemblies: A Quantum Approach for Optical Control

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-04, Vol.128 (16), p.3126-3136

2024

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Mechanism of visible-light photoisomerization of a rhenium(i) carbonyl-diimine complex

Chemical communications (Cambridge, England), 2010-11, Vol.46 (43), p.8225-8227

2010

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Spin-vibronic mechanism at work in a luminescent square-planar cyclometalated tridentate Pt() complex: absorption and ultrafast photophysics

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (28), p.1872-18727

2023

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Photophysics of isomerizable Re(I) complexes: A theoretical analysis

Coordination chemistry reviews, 2011-11, Vol.255 (21), p.2693-2703

2011

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Spin–Orbit Treatment of UV–vis Absorption Spectra and Photophysics of Rhenium(I) Carbonyl–Bipyridine Complexes: MS-CASPT2 and TD-DFT Analysis

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-11, Vol.116 (46), p.11319-11329

2012

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Ultrafast Excited-State Decays in [Re(CO)3(N,N)(L)] n+: Nonadiabatic Quantum Dynamics

Journal of chemical theory and computation, 2017-03, Vol.13 (3), p.1293-1306

2017

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Absorption Spectroscopy, Emissive Properties, and Ultrafast Intersystem Crossing Processes in Transition Metal Complexes: TD-DFT and Spin-Orbit Coupling

Density-Functional Methods for Excited States, 2016-01, p.377-413

2016

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Chemical bonding alteration upon electronic excitation in transition metal complexes

Coordination chemistry reviews, 2017-08, Vol.344, p.131-149

2017

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Preface

Computational and theoretical chemistry, 2019-05, Vol.1156, p.A1

Daniel, Chantal

2019

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Deciphering the Reaction Dynamics Underlying Optimal Control Laser Fields

Science (American Association for the Advancement of Science), 2003-01, Vol.299 (5606), p.536-539

2003

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

Journal of computational chemistry, 2016-10, Vol.37 (27), p.2454-2466

2016

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Spin-orbit effects in square-planar Pt(II) complexes with bidentate and terdentate ligands: theoretical absorption/emission spectroscopy

Dalton transactions : an international journal of inorganic chemistry, 2014-12, Vol.43 (47), p.17806-17819

2014

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Spin-Vibronic Mechanism for Intersystem Crossing

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

Structural and Optical Properties of Metal-Nitrosyl Complexes

Photochemistry and photophysics of transition metal complexes: Quantum chemistry

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

Ultrafast processes: coordination chemistry and quantum theory

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

Electronic and Photophysical Properties of [Re (L)(CO)3(phen)]+ and [Ru(L)2(bpy)2]2+ (L = imidazole), Building Units for Long-Range Electron Transfer in Modified Blue Copper Proteins

Quantum Chemical Interpretation of Ultrafast Luminescence Decay and Intersystem Crossings in Rhenium(I) Carbonyl Bipyridine Complexes

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

Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin–orbit calculations of [Re(imidazole)(CO) 3(phen)]

Intriguing Effects of Halogen Substitution on the Photophysical Properties of 2,9-(Bis)halo-Substituted Phenanthrolinecopper(I) Complexes

Inorganic photoisomerization: the case study of rhenium(I) complexes

Ultrafast Excited-State Nonadiabatic Dynamics in Pt(II) Donor–Bridge–Acceptor Assemblies: A Quantum Approach for Optical Control

Mechanism of visible-light photoisomerization of a rhenium(i) carbonyl-diimine complex

Spin-vibronic mechanism at work in a luminescent square-planar cyclometalated tridentate Pt() complex: absorption and ultrafast photophysics

Photophysics of isomerizable Re(I) complexes: A theoretical analysis

Spin–Orbit Treatment of UV–vis Absorption Spectra and Photophysics of Rhenium(I) Carbonyl–Bipyridine Complexes: MS-CASPT2 and TD-DFT Analysis

Ultrafast Excited-State Decays in [Re(CO)3(N,N)(L)] n+: Nonadiabatic Quantum Dynamics

Absorption Spectroscopy, Emissive Properties, and Ultrafast Intersystem Crossing Processes in Transition Metal Complexes: TD-DFT and Spin-Orbit Coupling

Chemical bonding alteration upon electronic excitation in transition metal complexes

Preface

Deciphering the Reaction Dynamics Underlying Optimal Control Laser Fields

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

Spin-orbit effects in square-planar Pt(II) complexes with bidentate and terdentate ligands: theoretical absorption/emission spectroscopy

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