フォロー
Valérie Vallet
Valérie Vallet
CNRS, Universite de Lille, Laboratoire de Physique des Lasers, Atomes et Molécules
確認したメール アドレス: univ-lille.fr - ホームページ
タイトル
引用先
引用先
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
2232006
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
2141999
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
1982005
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
1692001
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
1642000
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
1422001
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
1402012
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
1392005
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
1332006
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
1122003
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
1012004
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
961999
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
892007
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
892004
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
832003
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
812004
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
762008
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
722009
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
642010
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
601999
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