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List of works by Florent Réal

Ab initio embedded cluster study of the excitation spectrum and Stokes shifts of Bi3+-doped Y2O3.

scientific article published in September 2007

Ab initio study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3: comparison of perturbative and variational electron correlation methods

scientific article published in November 2006

Accurate Predictions of Volatile Plutonium Thermodynamic Properties

scientific article published on 14 October 2019

An Investigation of the Accuracy of Different DFT Functionals on the Water Exchange Reaction in Hydrated Uranyl(VI) in the Ground State and the First Excited State

scientific article published on 01 April 2008

An ab initio theoretical study of the electronic structure of UO2(+) and [UO2(CO3)3]5-.

scientific article published on 30 January 2009

Benchmarking electronic structure calculations on the bare UO2(2+) ion: how different are single and multireference electron correlation methods?

scientific article published in November 2009

Effective bond orders from two-step spin-orbit coupling approaches: the I2, At2, IO(+), and AtO(+) case studies

scientific article published on March 2015

Electronic structure investigation of the evanescent AtO(+) ion.

scientific article published in May 2014

First structural characterization of Pa(iv) in aqueous solution and quantum chemical investigations of the tetravalent actinides up to Bk(IV): the evidence of a curium break.

scientific article

Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions

scientific article published on 12 December 2012

How Does the Solvation Unveil AtO+ Reactivity?

article

Improvement of the ab initio embedded cluster method for luminescence properties of doped materials by taking into account impurity induced distortions: The example of Y[sub 2]O[sub 3]:Bi[sup 3+]

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

scientific article published on 31 January 2019

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

scientific article published on 01 October 2020

Influence of the geometry of a hydrogen bond on conformational stability: a theoretical and experimental study of ethyl carbamate

scientific article

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

scientific article published on 14 April 2020

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

scientific article published on 01 November 2019

Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: the case of the halide ions F-, Cl-, and Br-.

scientific article published in January 2012

On the multi-reference nature of plutonium oxides: PuO22+, PuO2, PuO3 and PuO2(OH)2. ⬇️

scientific article

On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f[sup 0] actinide species

scientific article published in 2009

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

scientific article published on 01 January 2020

Quantum chemical and molecular dynamics study of the coordination of Th(IV) in aqueous solvent

scientific article published on 11 November 2010

Rationalization of the Solvation Effects on the AtO+ Ground-State Change

scientific article published on 28 August 2013

Revisiting a many-body model for water based on a single polarizable site: from gas phase clusters to liquid and air/liquid water systems

scientific article published in September 2013

Standard free energy of the equilibrium between the trans-monomer and the cyclic-dimer of acetic acid in the gas phase from infrared spectroscopy.

scientific article published on March 2015

Structural, dynamical, and transport properties of the hydrated halides: How do At(-) bulk properties compare with those of the other halides, from F(-) to I(-)?

scientific article

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

scientific article published on 17 August 2020

Theoretical investigation of the energies and geometries of photoexcited uranyl(VI) ion: A comparison between wave-function theory and density functional theory

scientific article published on 01 December 2007

Towards systematically improvable models for actinides in condensed phase: the electronic spectrum of uranyl in Cs2UO2Cl4 as a test case

scientific article published in September 2013

Unraveling the Ground State and Excited State Structures and Dynamics of Hydrated Ce3+ Ions by Experiment and Theory

article

Unraveling the hydration-induced ground-state change of AtO(+) by relativistic and multiconfigurational wave-function-based methods

scientific article published on 14 November 2016

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