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ResearcherID: O-1631-2016

Keywords

ab initio calculations, actinides, molecular dynamics, force-field development, spectroscopy

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France

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University of Lille Nord de France: Lille, FR

2008-09-01 to present | Assistant Professor (Lab PhLAM)
Employment
Source: Self-asserted source
Florent Réal

Works (50 of 118)

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Page 1 of 3

Is the protactinium(v) mono-oxo bond weaker than what we thought?

Chemical Communications
2024 | Journal article
DOI: 10.1039/D4CC04522J
Contributors: Tamara Shaaban; Hanna Oher; Jean Aupiais; Julie Champion; André Severo Peirera Gomes; Claire Le Naour; Melody Maloubier; Florent Réal; Eric Renault; Xavier Rocquefelte et al.
Source: check_circle
Crossref

Toward a realistic theoretical electronic spectra of metal aqua ions in solution: The case of Ce(H2O)n3+ using statistical methods and quantum chemistry calculations

The Journal of Chemical Physics
2024-10-14 | Journal article
DOI: 10.1063/5.0228155
Contributors: Gema Raposo-Hernández; Rafael R. Pappalardo; Florent Réal; Valérie Vallet; Enrique Sánchez Marcos
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Crossref

Cover Feature: Stability of the Protactinium(V) Mono‐Oxo Cation Probed by First‐Principle Calculations (Chem. Eur. J. 15/2024)

Chemistry – A European Journal
2024-03-12 | Journal article
DOI: 10.1002/chem.202400750
Contributors: Tamara Shaaban; Florent Réal; Rémi Maurice; Valérie Vallet
Source: check_circle
Crossref

Stability of the Protactinium(V) Mono‐Oxo Cation Probed by First‐Principle Calculations

Chemistry – A European Journal
2024-03-12 | Journal article
DOI: 10.1002/chem.202304068
Contributors: Tamara Shaaban; Florent Réal; Rémi Maurice; Valérie Vallet
Source: check_circle
Crossref

Stability of the protactinium(V) mono-oxo cation probed by first-principle calculations

2024-01-19 | Preprint
DOI: 10.26434/chemrxiv-2023-zl9tn-v4
Contributors: Tamara Shaaban; Florent Réal; Rémi Maurice; Valérie Vallet
Source: check_circle
Crossref

Excited states of polonium(iv): electron correlation and spin–orbit coupling in the Po4+ free ion and in the bare and solvated [PoCl5]− and [PoCl6]2− complexes

Physical Chemistry Chemical Physics
2023 | Journal article
DOI: 10.1039/D3CP03317A
Contributors: Nadiya Zhutova; Florent Réal; Eric Renault; Valérie Vallet; Rémi Maurice
Source: check_circle
Crossref

Stability of the protactinium(V) mono-oxo cation probed by first-principle calculations

2023-12-07 | Preprint
DOI: 10.26434/chemrxiv-2023-zl9tn-v3
Contributors: Tamara Shaaban; Florent Réal; Rémi Maurice; Valérie Vallet
Source: check_circle
Crossref

Stability of the protactinium(V) mono-oxo cation probed by first-principle calculations

2023-12-07 | Preprint
DOI: 10.26434/chemrxiv-2023-zl9tn-v2
Contributors: Tamara Shaaban; Florent Réal; Rémi Maurice; Valérie Vallet
Source: check_circle
Crossref

Stability of the protactinium(V) mono-oxo cation probed by first-principle calculations

2023-12-06 | Preprint
DOI: 10.26434/chemrxiv-2023-zl9tn
Contributors: Tamara Shaaban; Florent Réal; Rémi Maurice; Valérie Vallet
Source: check_circle
Crossref

Complexation of neptunium(V) with aqueous phosphate using a dual experimental and quantum chemical approach

2023-09-24 | Other
HAL: hal-04011348
Contributors: Eya Miladi; Florent Réal; Valérie Vallet; Norbert Jordan; Nina Huittinen
Source: Self-asserted source
Florent Réal via HAL

Exploring the complexation of curium(III) and europium(III) with aqueous phosphates: a combined experimental and ab initio study

2023-09-24 | Conference paper
HAL: hal-04011358
Contributors: Florent Réal; Nina Huittinen; Isabelle Jessat; Valérie Vallet; Norbert Jordan
Source: Self-asserted source
Florent Réal via HAL

Complexation of Cm(III) and Eu(III) with aqueous phosphate: a combined luminescence, thermodynamic, and ab initio study

2023-08-22 | Conference paper
HAL: hal-04085800
Contributors: Norbert Jordan; Isabelle Jessat; Nina Huittinen; Florent Réal; Valérie Vallet
Source: Self-asserted source
Florent Réal via HAL

Effect of inorganic ligands on Pa<sup>5+</sup> and PaO<sup>3+</sup> relative stabilities: A computational study

2023-08-22 | Conference paper
HAL: hal-04027450
Contributors: Tamara Shaaban; Valérie Vallet; Florent Réal
Source: Self-asserted source
Florent Réal via HAL

Exploring luminescence properties of uranyl-based complexes by TRLFS and ab initio method

2023-08-22 | Conference paper
HAL: hal-04085802
Contributors: Valérie Vallet; Hanna Oher; Florent Réal; André Severo Pereira Gomes; Richard E. Wilson
Source: Self-asserted source
Florent Réal via HAL

Modeling polonium complexes in solution

2023-02-26 | Other
HAL: hal-03942063
Contributors: Nadiya Zhutova; Florent Réal; Eric Renault; Valérie Vallet; Rémi Maurice
Source: Self-asserted source
Florent Réal via HAL

Geometries, interaction energies and bonding in [Po(H2O)n]4+ and [PoCln]4−n complexes

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D2CP04001H
Contributors: Nadiya Zhutova; Florent Réal; Valérie Vallet; Rémi Maurice
Source: check_circle
Crossref

Uranium(IV) alkyl cations: synthesis, structures, comparison with thorium(IV) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity

Chemical Science
2022-11-10 | Journal article
DOI: 10.1039/D2SC04302E
DOI: 10.1039/D2SC04302E
HAL: hal-03847721
Contributors: Nicholas Andreychuk; Balamurugan Vidjayacoumar; Jeffrey Price; Sophie Kervazo; Craig Peeples; David Emslie; Valérie Vallet; André Severo Pereira Gomes; Florent Réal; Georg Schreckenbach et al.
Source: Self-asserted source
Florent Réal via HAL
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Exploring luminescence properties of uranyl-based complexes by TRLFS and ab initio method

2022-10-17 | Conference paper
HAL: hal-03701489
Contributors: Valérie Vallet; Hanna Oher; Florent Réal; Thomas Vercouter; André Severo Pereira Gomes; Richard E. Wilson
Source: Self-asserted source
Florent Réal via HAL

Challenges in relativistic electronic structure calculations of gas-phase reactivity and thermodynamics of actinide species

2022-09-26 | Conference paper
HAL: hal-03630522
Contributors: Florent Réal; Valérie Vallet; André Severo Pereira Gomes; Sophie Kervazo; Mohamad Saab; François Virot; Yu Gong; John K. Gibson
Source: Self-asserted source
Florent Réal via HAL

Complexation of Cm(III) with aqueous phosphates at elevated temperatures: a luminescence, thermodynamic, and ab initio study

2022-09-26 | Conference paper
HAL: hal-03630535
Contributors: Norbert Jordan; Nina Huittinen; Isabelle Jessat; Florent Réal; Valérie Vallet; Sebastian Starke; Manuel Eibl
Source: Self-asserted source
Florent Réal via HAL

Relativistic correlated electronic structure and the calculation of accurate ground-state, core and valence properties of heavy element species

2022-09-26 | Conference paper
HAL: hal-03906568
Contributors: Loïc Halbert; Xiang Yuan; Florent Réal; Valérie Vallet; André Severo Pereira Gomes
Source: Self-asserted source
Florent Réal via HAL

Exploring excited state potential energy profile and luminescence properties of uranyl-based complexes by TRLFS and ab initio method

2022-09-21 | Conference paper
HAL: hal-03630584
Contributors: Valérie Vallet; Hanna Oher; Florent Réal; Thomas Vercouter; André Severo Pereira Gomes; Richard E. Wilson
Source: Self-asserted source
Florent Réal via HAL

Apports de la modélisation théorique à la radiochimie moléculaire

2022-08-31 | Conference paper
HAL: hal-03715129
Contributors: Valérie Vallet; Florent Réal; André Severo Pereira Gomes; Michel Masella; François Virot
Source: Self-asserted source
Florent Réal via HAL

Relativistic correlated electronic structure and the calculation of accurate ground-state, core and valence properties of heavy element species

2022-08-31 | Conference paper
HAL: hal-03817321
Contributors: Loïc Halbert; Xiang Yuan; Florent Réal; Valérie Vallet; André Severo Pereira Gomes
Source: Self-asserted source
Florent Réal via HAL

A Molecular Scale Investigation of Organic/Inorganic Ion Selectivity at the Air–Liquid Interface

ACS Earth and Space Chemistry
2022-07-21 | Journal article
DOI: 10.1021/acsearthspacechem.1c00394
HAL: hal-03726342
Contributors: Ozge Ozgurel; Denis Duflot; Michel Masella; Florent Réal; Celine Toubin
Source: Self-asserted source
Florent Réal via HAL
grade
Preferred source (of 2)‎

Structural and thermodynamics properties of pure phase alkanes, monoamides and alkane/monoamide mixtures with an ab initio based force-field model

Journal of Molecular Liquids
2022-07-12 | Journal article
DOI: 10.1016/j.molliq.2022.119797
HAL: hal-03481112
ARXIV: 2112.06970
ARXIV: 2112.06970
Contributors: Abdelmounaim Failali; Eléonor Acher; Dominique Guillaumont; Valérie Vallet; Florent Réal
Source: Self-asserted source
Florent Réal via HAL

Exploring excited state potential energy profile and luminescence properties of uranyl-based complexes by TRLFS and ab initio method

2022-06-26 | Conference paper
HAL: hal-03630579
Contributors: Valérie Vallet; Hanna Oher; Florent Réal; Thomas Vercouter; André Severo Pereira Gomes; Richard E. Wilson
Source: Self-asserted source
Florent Réal via HAL

NaCl salts in finite aqueous environments at the fine particle marine aerosol scale

ACS Earth and Space Chemistry
2022-06-16 | Journal article
DOI: 10.1021/acsearthspacechem.2c00082
HAL: hal-03360947
ARXIV: 2109.15265
ARXIV: 2109.15265
Contributors: Valérie Vallet; Jonathan Coles; Florent Réal; Houriez Céline; Michel Masella
Source: Self-asserted source
Florent Réal via HAL
grade
Preferred source (of 2)‎

Exploring excited state potential energy profile and luminescence properties of f-element complexes by TRLFS and ab initio method

2022-06-14 | Conference paper
HAL: hal-03695090
Contributors: Valérie Vallet; Hanna Oher; Florent Réal; Thomas Vercouter; André Severo Pereira Gomes; Richard E. Wilson
Source: Self-asserted source
Florent Réal via HAL

IO radical yields from iodide oxidation by ozone on aqueous aerosol proxy surfaces

2022-05-15 | Conference paper
HAL: hal-03527388
Contributors: Markus Ammann; Roose Antoine; Henning Finkenzeller; Florent Réal; Valérie Vallet; Céline Toubin; Severin Gyrin; Lucia Lezzi; Rainer Volkamer
Source: Self-asserted source
Florent Réal via HAL

ONIOM QM/MM investigation of the iodide oxidation by ozone on particle

2022-05-15 | Conference paper
HAL: hal-03514512
Contributors: Antoine Roose; Henning Finkenzeller; Florent Réal; Valérie Vallet; Céline Toubin; Severin Gyrin; Lucia Lezzi; Rainer Volkamer; Markus Ammann
Source: Self-asserted source
Florent Réal via HAL

Influence of the first coordination of uranyl on its luminescence properties: study of uranyl binitrate with N,N-dialkyl amide DEHiBA and water

Inorganic Chemistry
2022-01-17 | Journal article
DOI: 10.1021/acs.inorgchem.1c02618
DOI: 10.1021/acs.inorgchem.1c02618
HAL: hal-03325299
Contributors: Hanna Oher; Geoffroy Ferru; Laurent Couston; Laurence Berthon; Dominique Guillaumont; Florent Réal; Thomas Vercouter; Valérie Vallet
Source: Self-asserted source
Florent Réal via HAL
grade
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Incorporating many-body and environment effects on luminescence and core spectroscopies

2022-01-10 | Conference paper
HAL: hal-03466080
Contributors: Matteo de Santis; Hanna Oher; Florent Réal; André Severo Pereira Gomes; Valérie Vallet
Source: Self-asserted source
Florent Réal via HAL

Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(iv) by monoamide and carbamide extractants

Physical Chemistry Chemical Physics
2021 | Journal article
DOI: 10.1039/D0CP05363E
Contributors: Abdelmounaim Failali; Eléonor Acher; Valérie Vallet; Florent Réal; Dominique Guillaumont
Source: check_circle
Crossref

Modelling polonium complexes in solution

2021-12-09 | Other
HAL: hal-03470684
Contributors: Nadiya Zhutova; Éric Renault; Florent Réal; Valérie Vallet; Rémi Maurice
Source: Self-asserted source
Florent Réal via HAL

Nuclear recycling process: the new extracting molecules bring new challenges for molecular modelling

2021-12-09 | Conference paper
HAL: hal-03472335
Contributors: Abdelmounaim Failali; Dominique Guillaumont; Eléonor Acher; Valérie Vallet; Florent Réal
Source: Self-asserted source
Florent Réal via HAL

Revisiting the Complexation of Cm(III) with Aqueous Phosphates: What Can We Learn from the Complex Structures Using Luminescence Spectroscopy and Ab Initio Simulations?

Inorganic Chemistry
2021-07-19 | Journal article
DOI: 10.1021/acs.inorgchem.1c01319
HAL: hal-03276079
Contributors: Nina Huittinen; Isabelle Jessat; Florent Réal; Valérie Vallet; Sebastian Starke; Manuel Eibl; Norbert Jordan
Source: Self-asserted source
Florent Réal via HAL
grade
Preferred source (of 2)‎

Structure–Property Relationships in Photoluminescent Bismuth Halide Organic Hybrid Materials

Inorganic Chemistry
2021-07-05 | Journal article
DOI: 10.1021/acs.inorgchem.1c01025
HAL: hal-03262995
Contributors: R. Lee Ayscue; Valérie Vallet; Jeffery A. Bertke; Florent Réal; Karah E. Knope
Source: Self-asserted source
Florent Réal via HAL
grade
Preferred source (of 2)‎

Complexation of Cm(III) with aqueous phosphates at elevated temperatures

2021-07-04 | Other
HAL: hal-03145163
Contributors: Norbert Jordan; Nina Huittinen; Isabelle Jessat; Florent Réal; Valérie Vallet; Sebastian Starke; Manuel Eibl
Source: Self-asserted source
Florent Réal via HAL

Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium(IV) by monoamide and carbamide extractants

2021-03-22 | Conference paper
HAL: hal-03145196
Contributors: Abdelmounaim Failali; Dominique Guillaumont; Eléonor Acher; Valérie Vallet; Florent Réal
Source: Self-asserted source
Florent Réal via HAL

Theoretical radiochemistry as an essential component of molecular radiochemistry :

L'Actualité Chimique
2021-03-01 | Journal article
HAL: hal-03172988
Contributors: Rémi Maurice; Eléonor Acher; Nicolas Galland; André Severo Pereira Gomes; Dominique Guillaumont; Florent Réal; Eric Renault; Jérôme Roques; Bruno Siberchicot; Valérie Vallet
Source: Self-asserted source
Florent Réal via HAL

Carbon–sulfur bond strength in methanesulfinate and benzenesulfinate ligands directs decomposition of Np(v) and Pu(v) coordination complexes

Dalton Transactions
2020 | Journal article
DOI: 10.1039/D0DT00125B
Contributors: Valérie Vallet; Yu Gong; Mohamad Saab; Florent Réal; John K. Gibson
Source: check_circle
Crossref

Properties of the tetravalent actinide series in aqueous phase from a microscopic simulation self-consistent engine

Physical Chemistry Chemical Physics
2020 | Journal article
DOI: 10.1039/C9CP04912F
Contributors: Eléonor Acher; Michel Masella; Valérie Vallet; Florent Réal
Source: check_circle
Crossref

Synthesis and photoluminescence of three bismuth(iii)-organic compounds bearing heterocyclic N-donor ligands

Dalton Transactions
2020 | Journal article
DOI: 10.1039/D0DT02360D
Contributors: Alyssa K. Adcock; R. Lee Ayscue; Leticia M. Breuer; Chloe P. Verwiel; Alexander C. Marwitz; Jeffery A. Bertke; Valérie Vallet; Florent Réal; Karah E. Knope
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Crossref

Influence of Alkaline Earth Metal Ions on Structures and Luminescent Properties of NamMnUO2(CO3)3(4–m–2n)– (M = Mg, Ca; m, n = 0–2): Time-Resolved Fluorescence Spectroscopy and Ab Initio Studies

Inorganic Chemistry
2020-10-19 | Journal article
DOI: 10.1021/acs.inorgchem.0c01986
Contributors: Hanna Oher; Thomas Vercouter; Florent Réal; Chengming Shang; Pascal E. Reiller; Valérie Vallet
Source: check_circle
Crossref

Conformational Landscape of Oxygen-Containing Naphthalene Derivatives

The Journal of Physical Chemistry A
2020-06-04 | Journal article
DOI: 10.1021/acs.jpca.0c01188
Contributors: Manuel Goubet; Marie-Aline Martin-Drumel; Florent Réal; Valérie Vallet; Olivier Pirali
Source: check_circle
Crossref

Investigation of the Luminescence of [UO2X4]2– (X = Cl, Br) Complexes in the Organic Phase Using Time-Resolved Laser-Induced Fluorescence Spectroscopy and Quantum Chemical Simulations

Inorganic Chemistry
2020-05-04 | Journal article
DOI: 10.1021/acs.inorgchem.9b03614
Contributors: Hanna Oher; Florent Réal; Thomas Vercouter; Valérie Vallet
Source: check_circle
Crossref

Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution

The Journal of Chemical Physics
2019-11-07 | Journal article
DOI: 10.1063/1.5109777
Contributors: Céline Houriez; Florent Réal; Valérie Vallet; Michael Mautner; Michel Masella
Source: check_circle
Crossref

Accurate Predictions of Volatile Plutonium Thermodynamic Properties

Inorganic Chemistry
2019-11-04 | Journal article
DOI: 10.1021/acs.inorgchem.9b02096
Contributors: Sophie Kervazo; Florent Réal; François Virot; André Severo Pereira Gomes; Valérie Vallet
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Crossref

Improving the description of solvent pairwise interactions using local solute/solvent three‐body functions. The case of halides and carboxylates in aqueous environment

Journal of Computational Chemistry
2019-04-30 | Journal article
DOI: 10.1002/jcc.25779
Contributors: Florent Réal; Valérie Vallet; Michel Masella
Source: check_circle
Crossref
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Peer review (4 reviews for 2 publications/grants)

Review activity for Inorganic chemistry. (3)
Review activity for Materials today communications. (1)
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