Valérie Vallet
Valérie Vallet
CNRS, Universite de Lille 1, Laboratoire de Physique des Lasers, Atomes et Molécules
Verified email at univ-lille.fr
Title
Cited by
Cited by
Year
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
1871999
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
1852006
Time-dependent quantum wave-packet description of the photochemistry of phenol
Z Lan, W Domcke, V Vallet, AL Sobolewski, S Mahapatra
The Journal of chemical physics 122 (22), 224315, 2005
1702005
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
1552001
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
1372001
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
1352000
Photochemistry of pyrrole: Time-dependent quantum wave-packet description of the dynamics at the conical intersections
V Vallet, Z Lan, S Mahapatra, AL Sobolewski, W Domcke
The Journal of chemical physics 123 (14), 144307, 2005
1232005
Actinide chemistry in solution, quantum chemical methods and models
V Vallet, P Macak, U Wahlgren, I Grenthe
Theoretical Chemistry Accounts 115 (2-3), 145-160, 2006
1222006
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
1032012
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
891999
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
842003
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
792004
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
792004
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
772003
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
732004
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), 214302, 2007
712007
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
672008
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
572009
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
552010
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
531999
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