C. Latouche

发表

New insights into the vibrational and optical signatures of trans-stilbene via integrated experimental and quantum mechanical approaches.

V. Barone, F. Massuyeau, E. Faulques, 2016, Physical chemistry chemical physics : PCCP.

CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS

V. Barone, N. Balucani, F. Vazart, 2015 .

Gas-phase formation of the prebiotic molecule formamide: insights from new quantum computations

V. Barone, C. Ceccarelli, N. Balucani, 2015, 1507.03741.

Neutral copper(I) complexes featuring phosphinesulfonate chelates.

V. Barone, T. Roisnel, F. Vazart, 2016, Dalton transactions.

Experimental and Theoretical Evidences of p-Type Conductivity in Nickel Carbodiimide Nanoparticles with a Delafossite Structure Type.

Tengfei Jiang, M. Boujtita, F. Odobel, 2017, Inorganic chemistry.

A p-Type Zinc-Based Metal-Organic Framework.

Tengfei Jiang, E. Faulques, L. Cario, 2017, Inorganic chemistry.

β-In2S3 for photovoltaic devices: investigation of the native point defects with ab initio first-principle calculations

N. Barreau, C. Latouche, S. Jobic, 2018, Theoretical Chemistry Accounts.

High Efficiency Solar Cell Based on Full PVD Processed Cu(In,Ga)Se2/CdIn2S4 Heterojunction

I. Braems, L. Arzel, E. Gautron, 2017 .

Accurate computations to simulate the phosphorescence spectra of large transition complexes: simulated colors match experiment

C. Latouche, J. Rio, Adrien Stoliaroff, 2019, New Journal of Chemistry.

New Insights To Simulate the Luminescence Properties of Pt(II) Complexes Using Quantum Calculations.

F. Massuyeau, E. Faulques, C. Latouche, 2017, Journal of chemical theory and computation.

Anharmonic Computations Meet Experiments (IR, Raman, Neutron Diffraction) for Explaining the Behavior of 1,3,5-Tribromo-2,4,6-trimethylbenzene.

V. Barone, A. Moreac, C. Latouche, 2016, The journal of physical chemistry. A.

Vibronic coupling to simulate the phosphorescence spectra of Ir(III)-based OLED systems: TD-DFT results meet experimental data

C. Katan, C. Latouche, A. Boucekkine, 2016, Journal of Molecular Modeling.

Validation of a computational protocol to simulate near IR phosphorescence spectra for Ru(II) and Ir(III) metal complexes

F. Vazart, C. Latouche, 2015, Theoretical Chemistry Accounts.

Vibronic Coupling Investigation to Compute Phosphorescence Spectra of Pt(II) Complexes.

V. Barone, J. Bloino, F. Vazart, 2015, Inorganic chemistry.

TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes.

V. Barone, C. Latouche, D. Skouteris, 2015, Journal of chemical theory and computation.

Uncatalyzed hydroamination of electrophilic organometallic alkynes: fundamental, theoretical, and applied aspects.

D. Astruc, I. Ledoux-Rak, C. Latouche, 2014, Chemistry.

Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3](2+) as a case study.

V. Barone, Alberto Baiardi, J. Bloino, 2014, Dalton transactions.

[Ag7(H){E2P(OR)2}6] (E = Se, S): precursors for the fabrication of silver nanoparticles.

C. Latouche, J. Saillard, Yan-Ru Lin, 2013, Inorganic chemistry.

Switching of excited states in cyclometalated platinum complexes incorporating pyridyl-acetylide ligands (Pt–CC–py): a combined experimental and theoretical study

V. Guerchais, C. Latouche, J. Williams, 2011 .

Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate).

V. Barone, M. Biczysko, J. Bloino, 2015, Physical chemistry chemical physics : PCCP.

A μ9-iodide in a tricapped trigonal-prismatic geometry.

C. Latouche, J. Saillard, Jian‐Hong Liao, 2012, Inorganic chemistry.

Cyclometalated 4-Styryl-2-phenylpyridine Platinum(II) Acetylacetonate Complexes as Second-Order NLO Building Blocks for SHG Active Polymeric Films

V. Guerchais, C. Latouche, S. Tavazzi, 2013 .

Tuning of Thermometric Performances of Mixed Eu–Tb Metal–Organic Frameworks through Single‐Crystal Coordinating Solvent Exchange Reactions

Andreas Kourtellaris, A. Tasiopoulos, F. Massuyeau, 2022, Advanced Optical Materials.

Computational analysis on native and extrinsic point defects in YAG using the metaGGA SCAN method

M. Allix, C. Latouche, S. Jobic, 2022, Theoretical Chemistry Accounts.

Origin of Luminescence in La 2 MoO 6 and La 2 Mo 2 O 9 and Their Bi-Doped Variants

M. Colmont, M. Huvé, F. Massuyeau, 2021 .

Modeling Luminescence Spectrum of BaZrO3:Ti Including Vibronic Coupling from First Principles Calculations.

C. Latouche, S. Jobic, Théo Cavignac, 2022, Journal of chemical theory and computation.

Why Are Some Crystals Gem Quality? Crystal Growth Considerations On the “Gem Factor”

E. Fritsch, C. Latouche, B. Devouard, 2017 .

Ratiometric mixed Eu–Tb metal–organic framework as a new cryogenic luminescent thermometer

L. Carlos, C. Latouche, H. Serier‐Brault, 2017 .

Thermochromic Luminescent Materials and Multi-Emission Bands in d10 Clusters

F. Massuyeau, C. Latouche, M. Paris, 2017, Scientific Reports.

On the contribution of f electrons to the quadratic hyperpolarizability: the case of lanthanide terpyridyl complexes.

C. Katan, C. Latouche, A. Boucekkine, 2018, Physical chemistry chemical physics : PCCP.

Virtual eyes for technology and cultural heritage: towards computational strategy for new and old indigo-based dyes

Vincenzo Barone, Camille Latouche, Malgorzata Biczysko, 2015, Theoretical Chemistry Accounts.

Switching of reverse charge transfers for a rational design of an OFF-ON phosphorescent chemodosimeter of cyanide anions.

C. Latouche, A. Boucekkine, Jean-Luc Fillaut, 2013, Inorganic chemistry.

Anion encapsulation and geometric changes in hepta- and hexanuclear copper(I) dichalcogeno clusters: a theoretical and experimental investigation.

E. Furet, C. Latouche, J. Saillard, 2013, Inorganic chemistry.

C-H activation of 2,4,6-triphenylphosphinine: synthesis and characterization of the first homoleptic phosphinine-iridium(III) complex fac-[Ir(C^P)3].

M. Lutz, M. Hissler, C. Latouche, 2013, Inorganic chemistry.

Encapsulating Hydrides and Main-Group Anions in d10-Metal Clusters Stabilized by 1,1-Dichalcogeno Ligands

C. Latouche, Chenwei Liu, J. Saillard, 2014, Journal of Cluster Science.

Rhenium complexes bearing phosphole-pyridine chelates: simple molecules with large chiroptical properties.

M. Hissler, C. Latouche, R. Réau, 2012, Chemical communications.

High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases.

V. Barone, C. Latouche, D. Skouteris, 2014, Journal of chemical theory and computation.

Encapsulating Iodine and Copper into Copper(I) Clusters Stabilized by Dichalcogenolate Ligands: Stability, Structure, and Optical Properties.

V. Barone, C. Latouche, J. Saillard, 2017, Inorganic chemistry.

Shape modulation of octanuclear Cu(I) or Ag(I) dichalcogeno template clusters with respect to the nature of their encapsulated anions: a combined theoretical and experimental investigation.

J. Cuny, C. Latouche, J. Saillard, 2013, Inorganic chemistry.

Modulation of emission properties of phosphine-sulfonate ligand containing copper complexes: playing with solvato-, thermo-, and mechanochromism.

V. Dorcet, T. Roisnel, C. Latouche, 2019, Dalton transactions.

DFT and hybrid-DFT calculations on the electronic properties of vanadate materials: theory meets experiments

C. Latouche, R. Schira, 2020, New Journal of Chemistry.

Computational Chemistry Meets Experiments for Explaining the Behavior of Bibenzyl: A Thermochemical and Spectroscopic (Infrared, Raman, and NMR) Investigation.

V. Barone, C. Latouche, 2014, Journal of chemical theory and computation.

Insights into the Optical Properties of Triarylboranes with Strongly Electron‐Accepting Bis(fluoromesityl)boryl Groups: when Theory Meets Experiment

C. Latouche, A. Boucekkine, J. Halet, 2019, ChemPhotoChem.

A twelve-coordinated iodide in a cuboctahedral silver(I) skeleton.

C. Latouche, J. Saillard, Jian‐Hong Liao, 2014, Inorganic chemistry.

Au-Au chemical bonding induced by UV irradiation of dinuclear gold(I) complexes: a computational study with experimental evidence.

C. Latouche, Chenwei Liu, J. Saillard, 2014, Physical chemistry chemical physics : PCCP.

Structure and spectroscopic properties of gold(I) diselenophosph(in)ate complexes: a joint experimental and theoretical study.

C. Latouche, J. Saillard, Yu-Chen Lee, 2012, Inorganic chemistry.

Copper Iodide Clusters Coordinated by Emissive Cyanobiphenyl-Based Ligands.

F. Massuyeau, S. Perruchas, C. Latouche, 2022, Inorganic chemistry.

Polymorphic Copper Iodide Anions: Luminescence Thermochromism and Mechanochromism of (PPh4)2[Cu2I4].

F. Massuyeau, S. Perruchas, C. Latouche, 2020, Inorganic chemistry.

A Heptanuclear Copper Iodide Nanocluster.

F. Massuyeau, S. Perruchas, Hani El Moll, 2018, Inorganic chemistry.

Combining Theory and Experiment to Get Insight into the Amorphous Phase of Luminescent Mechanochromic Copper Iodide Clusters.

J. Mevellec, F. Massuyeau, S. Perruchas, 2020, Inorganic chemistry.

Luminescence Vapochromism of a Dynamic Copper Iodide Mesocate.

T. Gacoin, S. Perruchas, Hani El Moll, 2018, Chemistry.

Mechanically responsive luminescent films based on copper iodide clusters

J. Mevellec, F. Massuyeau, S. Perruchas, 2021 .

Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS‐Draw tool

Vincenzo Barone, Daniele Licari, Camille Latouche, 2015, J. Comput. Chem..

Versatile electrical behavior of 1T−TiS2 elucidated from a theoretical study

C. Latouche, S. Jobic, A. Stoliaroff, 2019, Physical Review B.

Linear and nonlinear optical properties of tris-cyclometalated phenylpyridine Ir(III) complexes incorporating π-conjugated substituents.

J. Zyss, M. Zaarour, V. Guerchais, 2013, Inorganic chemistry.

Point Defects Modeling Explains Multiple Sulfur Species in Sulfur-Doped Na4(Al3Si3O12)Cl Sodalite

E. Fritsch, C. Latouche, S. Jobic, 2021, The Journal of Physical Chemistry C.

Unravelling the Origin of the Yellow-Orange Luminescence in Natural and Synthetic Scapolites.

E. Fritsch, C. Latouche, S. Jobic, 2020, The journal of physical chemistry letters.

New insights into the determination of maximum chemical potentials to account for alkali doping in β-In2S3 by ab initio calculations

C. Latouche, S. Jobic, A. Stoliaroff, 2019, Computational Materials Science.

Synthesis and Photoluminescence Properties of Ca2Ga2SiO7:Eu(3+) Red Phosphors with an Intense (5)D0 → (7)F4 Transition.

C. Latouche, H. Serier‐Brault, R. Gautier, 2016, Inorganic chemistry.

Comprehensive approach to simulate vibrationally resolved phosphorescence spectra of gold(III) complexes using DFT including temperature effects

E. Fritsch, C. Latouche, A. Boucekkine, 2017, Theoretical Chemistry Accounts.

Functionalized styryl iridium(III) complexes as active second-order NLO chromophores and building blocks for SHG polymeric films

V. Guerchais, C. Latouche, A. Boucekkine, 2014 .

Bis-Heteroleptic Cationic Iridium(III) Complexes Featuring Cyclometalating 2-Phenylbenzimidazole Ligands: A Combined Experimental and Theoretical Study.

F. Loiseau, C. Latouche, Pierre-Henri Lanoë, 2022, Inorganic chemistry.

Origin of Luminescence in La2MoO6 and La2Mo2O9 and Their Bi-Doped Variants.

M. Colmont, M. Huvé, F. Massuyeau, 2020, Inorganic chemistry.

Deciphering the Role of Key Defects in Sb2Se3, a Promising Candidate for Chalcogenide-Based Solar Cells

O. Rubel, C. Latouche, S. Jobic, 2020 .

Synthesis and Photoluminescence Properties of Ca2Ga2SiO7:Eu3+ Red Phosphors with an Intense 5D0→7F4 Transition.

C. Latouche, H. Serier‐Brault, R. Gautier, 2016 .

Theoretical Calculations Meet Experiment to Explain the Luminescence Properties and the Presence of Defects in m-ZrO2

C. Latouche, S. Jobic, W. Lafargue-Dit-Hauret, 2021 .

Crystal Chemistry, Optical-Electronic Properties, and Electronic Structure of Cd1- xIn2+2 x/3S4 Compounds (0 ≤ x ≤ 1), Potential Buffer in CIGS-Based Thin-Film Solar Cells.

N. Barreau, C. Latouche, M. Paris, 2018, Inorganic chemistry.

Accurate Ab Initio Calculations on Various PV-Based Materials: Which Functional to Be Used?

C. Latouche, A. Stoliaroff, 2020 .

Defect energy levels and persistent luminescence in Cu-doped ZnS

C. Latouche, S. Jobic, K. Hoang, 2018, Computational Materials Science.

Why is it so difficult to realize Dy 4+ in as‐synthesized BaZrO 3 ?

C. Latouche, S. Jobic, K. Hoang, 2021, Journal of the American Ceramic Society.

N ov 2 02 1 Why is it so difficult to realize Dy

C. Latouche, S. Jobic, K. Hoang, 2021 .

Perfluorofullerenes: Characterization and structural aspects

A. Hamwi, C. Latouche, R. Benoit, 1996 .

Accurate Infrared (IR) Spectra for Molecules Containing the C≡N Moiety by Anharmonic Computations with the Double Hybrid B2PLYP Density Functional.

V. Barone, P. Cimino, F. Vazart, 2015, Journal of chemical theory and computation.

First-principles calculations to identify key native point defects in Sr4Al14O25.

M. Allix, B. Viana, C. Latouche, 2022, Physical chemistry chemical physics : PCCP.

Impact of point defects on the electrical properties of selenium: A density functional theory investigation with discussion of the entropic term

C. Latouche, S. Jobic, A. Stoliaroff, 2021 .

Intermixed Cation–Anion Aqueous Battery Based on an Extremely Fast and Long‐Cycling Di‐Block Bipyridinium–Naphthalene Diimide Oligomer

P. Poizot, P. Soudan, D. Guyomard, 2019, Advanced Energy Materials.

Linear and Nonlinear Optical Properties of Quadrupolar Bithiophenes and Cyclopentadithiophenes as Fluorescent Oxygen Photosensitizers

M. Blanchard‐Desce, C. Latouche, O. Mongin, 2023, Photochem.

DFT vs. TDDFT vs. TDA to simulate phosphorescence spectra of Pt- and Ir-based complexes.

C. Latouche, R. Schira, 2020, Dalton transactions.

Presentation of the PyDEF post-treatment Python software to compute publishable charts for defect energy formation

Stéphane Jobic, Camille Latouche, Emmanuel V. Péan, 2017 .

Shortwave UV Blue Luminescence of Some Minerals and Gems Due to Titanate Groups

E. Fritsch, C. Latouche, S. Jobic, 2023, Minerals.

Revisiting the Crystal Structure of Layered Oxychalcogenides Ln2O2S2 (Ln = La, Pr, and Nd).

I. Braems, S. Sasaki, L. Cario, 2023, Inorganic chemistry.

Theoretical evidence of metal-induced structural distortions in a series of bipyrimidine-based ligands.

V. Barone, J. Malval, C. Latouche, 2015, Dalton transactions.

A computational study of CaWO4: Raman spectrum, intrinsic defects, and excited state properties

C. Latouche, S. Jobic, Théo Cavignac, 2023, Computational Materials Science.

Virtual Eyes Designed for Quantitative Spectroscopy of Inorganic Complexes: Vibronic Signatures in the Phosphorescence Spectra of Terpyridine Derivatives.

V. Barone, C. Latouche, A. Baiardi, 2015, The journal of physical chemistry. B.

Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment.

V. Barone, F. Vazart, C. Latouche, 2015, Journal of chemical theory and computation.

Mild uncatalyzed hydroamination of an electrophilic alkyne, ethynylcobalticinium.

D. Astruc, I. Ledoux-Rak, C. Latouche, 2013, Chemical communications.

Cyclometalated platinum(II) with ethynyl-linked azobenzene ligands: an original switching mode.

T. Roisnel, C. Latouche, A. Boucekkine, 2013, Dalton transactions.

Ab Initio Prediction of the Redox Potentials of 3d Transition Metals Embedded in a Semiconducting Host Lattice

C. Latouche, S. Jobic, W. Lafargue-Dit-Hauret, 2021 .

PyDEF 2.0: An Easy to Use Post‐treatment Software for Publishable Charts Featuring a Graphical User Interface

Adrien Stoliaroff, Stéphane Jobic, Camille Latouche, 2018, J. Comput. Chem..

An ab initio study of Cu-based delafossites as an alternative to nickel oxide in photocathodes: effects of Mg-doping and surface electronic features.

V. Barone, Michele Pavone, C. Latouche, 2018, Physical chemistry chemical physics : PCCP.

Luminescent Heterobimetallic PtII-AuI Complexes Bearing N-Heterocyclic Carbenes (NHCs) as Potent Anticancer Agents.

C. Latouche, Yoshie Sakamaki, Masood Fereidoonnezhad, 2023, Inorganic chemistry.

How subtle molecular changes can strongly impact luminescence properties of copper iodide complexes

J. Mevellec, F. Massuyeau, S. Perruchas, 2023, Journal of Luminescence.

Optoelectronic Properties of TiS2: A Never Ended Story Tackled by Density Functional Theory and Many-Body Methods.

C. Latouche, S. Jobic, A. Stoliaroff, 2019, Inorganic chemistry.

Neutral 2-phenylbenzimidazole-based iridium(III) complexes with picolinate ancillary ligand: tuning the emission properties by manipulating the substituent on the benzimidazole ring.

C. Philouze, C. Latouche, Pierre-Henri Lanoë, 2024, Dalton transactions.