| 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 | 211 | 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 | 210 | 1999 |
| 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 | 194 | 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 | 159 | 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 | 142 | 2001 |
| 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 | 134 | 2005 |
| 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 | 133 | 2012 |
| 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 | 133 | 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 | 102 | 2003 |
| 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 |
| 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 | 94 | 2004 |
| 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 | 86 | 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 |
| 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 | 80 | 2007 |
| 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 | 76 | 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 | 75 | 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 | 69 | 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 | 62 | 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 | 60 | 1999 |
Florent RéalLaboratoire PhLAMVerified email at univ-lille1.fr
