Valérie Vallet

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Florent RéalLaboratoire PhLAMDirección de correo verificada de univ-lille1.fr
Ulf WahlgrenNorditaDirección de correo verificada de nordita.org
Zoltan SzaboAssociate professorDirección de correo verificada de kth.se
Andre Severo Pereira GomesCNRS, Universite de Lille, Laboratoire de Physique des Lasers, Atomes et Molécules (UMR8523)Dirección de correo verificada de univ-lille.fr
Wolfgang DomckeProfessor of Theoretical Chemistry, Technical University of MunichDirección de correo verificada de ch.tum.de
Hanna OHERInstitute de Sciences Chimiques de RennesDirección de correo verificada de univ-rennes1.fr
Laurent MaronUniversité de Toulouse, Paul SabatierDirección de correo verificada de irsamc.ups-tlse.Fr
Prof. Susanta MahapatraUniversity of HyderabadDirección de correo verificada de uohyd.ac.in
Galland NicolasUniversité de NantesDirección de correo verificada de univ-nantes.fr
Lucas VisscherProfessor of Theoretical Chemistry, VU University AmsterdamDirección de correo verificada de vu.nl
Andrzej L. SobolewskiProfesor of physics, Institute of Physics, Polish Academy of SciencesDirección de correo verificada de ifpan.edu.pl
Richard E. WilsonArgonne National LaboratoryDirección de correo verificada de anl.gov
Florent LouisUniversité de LilleDirección de correo verificada de univ-lille.fr
Sabyashachi MishraIIT KharagpurDirección de correo verificada de chem.iitkgp.ac.in
Rémi MauriceUniv Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes) - UMR 6226, 35000 Rennes, FranceDirección de correo verificada de univ-rennes1.fr
Malgorzata OlejniczakCentre of New Technologies (CeNT), University of WarsawDirección de correo verificada de cent.uw.edu.pl
MontavonsubatechDirección de correo verificada de subatech.in2p3.fr
Carine CLAVAGUERACNRS - Paris Saclay UniversityDirección de correo verificada de universite-paris-saclay.fr
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityDirección de correo verificada de chemistry.mcmaster.ca
Avijit SheeUniversity of California, BerkeleyDirección de correo verificada de berkeley.edu

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Valérie Vallet

CNRS, Universite de Lille, Laboratoire de Physique des Lasers, Atomes et Molécules

Dirección de correo verificada de univ-lille.fr - Página principal

Theoretical Chemistry Atomic and Molecular Physics Actinides Lanthanides


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
Solution coordination chemistry of actinides: Thermodynamics, structure and reaction mechanisms Z Szabó, T Toraishi, V Vallet, I Grenthe Coordination Chemistry Reviews 250 (7-8), 784-815, 2006	227	2006
Structure of uranium (VI) in strong alkaline solutions. A combined theoretical and experimental investigation U Wahlgren, H Moll, I Grenthe, B Schimmelpfennig, L Maron, V Vallet, ... The Journal of Physical Chemistry A 103 (41), 8257-8264, 1999	218	1999
Time-dependent quantum wave-packet description of the π1σ* photochemistry of phenol Z Lan, W Domcke, V Vallet, AL Sobolewski, S Mahapatra The Journal of chemical physics 122 (22), 2005	202	2005
Solvent effects on uranium (VI) fluoride and hydroxide complexes studied by EXAFS and quantum chemistry V Vallet, U Wahlgren, B Schimmelpfennig, H Moll, Z Szabo, I Grenthe Inorganic Chemistry 40 (14), 3516-3525, 2001	169	2001
A two-step uncontracted determinantal effective hamiltonian-based so–ci method V Vallet, L Maron, C Teichteil, JP Flament The Journal of Chemical Physics 113 (4), 1391-1402, 2000	165	2000
The Mechanism for Water Exchange in [UO₂(H₂O)₅]²⁺ and [UO₂(oxalate)₂(H₂O)]^2-, as Studied by Quantum Chemical Methods V Vallet, U Wahlgren, B Schimmelpfennig, Z Szabó, I Grenthe Journal of the American Chemical Society 123 (48), 11999-12008, 2001	145	2001
Probing the nature of chemical bonding in uranyl (VI) complexes with quantum chemical methods V Vallet, U Wahlgren, I Grenthe The Journal of Physical Chemistry A 116 (50), 12373-12380, 2012	144	2012
Photochemistry of pyrrole: Time-dependent quantum wave-packet description of the dynamics at the π1σ*-s conical intersections V Vallet, Z Lan, S Mahapatra, AL Sobolewski, W Domcke The Journal of chemical physics 123 (14), 2005	143	2005
Actinide chemistry in solution, quantum chemical methods and models V Vallet, P Macak, U Wahlgren, I Grenthe Theoretical Chemistry Accounts 115 (2), 145-160, 2006	136	2006
Chelate effect and thermodynamics of metal complex formation in solution: a quantum chemical study V Vallet, U Wahlgren, I Grenthe Journal of the American Chemical Society 125 (48), 14941-14950, 2003	115	2003
Can density functional methods be used for open-shell actinide molecules? Comparison with multiconfigurational spin-orbit studies C Clavaguéra-Sarrio, V Vallet, D Maynau, CJ Marsden The Journal of chemical physics 121 (11), 5312-5321, 2004	102	2004
Reduction of uranyl by hydrogen: an ab initio study V Vallet, B Schimmelpfennig, L Maron, C Teichteil, T Leininger, O Gropen, ... Chemical Physics 244 (2-3), 185-193, 1999	95	1999
Theoretical investigation of the energies and geometries of photoexcited uranyl (VI) ion: A comparison between wave-function theory and density functional theory F Réal, V Vallet, C Marian, U Wahlgren The Journal of chemical physics 127 (21), 2007	94	2007
Time-dependent quantum wave-packet description of the 1 πσ* photochemistry of pyrrole V Vallet, Z Lan, S Mahapatra, AL Sobolewski, W Domcke Faraday Discussions 127, 283-293, 2004	91	2004
Structure and bonding in solution of dioxouranium (VI) oxalate complexes: Isomers and intramolecular ligand exchange V Vallet, H Moll, U Wahlgren, Z Szabó, I Grenthe Inorganic chemistry 42 (6), 1982-1993, 2003	85	2003
The Mechanism of Water Exchange in AmO₂(H₂O)₅²⁺ and in the Isoelectronic UO₂(H₂O)₅⁺ and NpO₂(H₂O)₅²⁺ Complexes as Studied by Quantum … V Vallet, T Privalov, U Wahlgren, I Grenthe Journal of the American Chemical Society 126 (25), 7766-7767, 2004	81	2004
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 P Wåhlin, C Danilo, V Vallet, F Réal, JP Flament, U Wahlgren Journal of Chemical Theory and Computation 4 (4), 569-577, 2008	76	2008
Benchmarking Electronic Structure Calculations on the Bare UO₂²⁺ Ion: How Different are Single and Multireference Electron Correlation Methods? F Réal, ASP Gomes, L Visscher, V Vallet, E Eliav The Journal of Physical Chemistry A 113 (45), 12504-12511, 2009	74	2009
Quantum chemical and molecular dynamics study of the coordination of Th (IV) in aqueous solvent F Réal, M Trumm, V Vallet, B Schimmelpfennig, M Masella, JP Flament The Journal of Physical Chemistry B 114 (48), 15913-15924, 2010	66	2010
Reduction behavior of the early actinyl ions in aqueous solution V Vallet, L Maron, B Schimmelpfennig, T Leininger, C Teichteil, O Gropen, ... The Journal of Physical Chemistry A 103 (46), 9285-9289, 1999	61	1999

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