| A mean-field spin-orbit method applicable to correlated wavefunctions BA Heß, CM Marian, U Wahlgren, O Gropen Chemical Physics Letters 251 (5-6), 365-371, 1996 | 1310 | 1996 |
| Ligand field effects in the hydrated divalent and trivalent metal ions of the first and second transition periods R Aakesson, LGM Pettersson, M Sandstroem, U Wahlgren Journal of the American Chemical Society 116 (19), 8691-8704, 1994 | 229 | 1994 |
| Potential energy surface for the model unimolecular reaction HNC→ HCN PK Pearson, HF Schaefer III, U Wahlgren The Journal of Chemical Physics 62 (2), 350-354, 1975 | 224 | 1975 |
| 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 |
| On the cluster convergence of chemisorption energies I Panas, J Schüle, P Siegbahn, U Wahlgren Chemical physics letters 149 (3), 265-272, 1988 | 214 | 1988 |
| 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 new mean-field and ECP-based spin-orbit method. Applications to Pt and PtH CM Marian, U Wahlgren Chemical physics letters 251 (5-6), 357-364, 1996 | 156 | 1996 |
| SCF ab‐initio ground state energy surfaces for CO2 and CO2− J Pacansky, U Wahlgren, PS Bagus The Journal of Chemical Physics 62 (7), 2740-2744, 1975 | 154 | 1975 |
| 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 | 143 | 2012 |
| The electronic structure of the azabenzenes an ab initio MO-SCF-LCAO study J Almlöf, B Roos, U Wahlgren, H Johansen Journal of Electron Spectroscopy and Related Phenomena 2 (1), 51-74, 1973 | 140 | 1973 |
| 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 |
| Spin–orbit corrections to NMR shielding constants from density functional theory. How important are the two-electron terms? OL Malkina, B Schimmelpfennig, M Kaupp, BA Hess, P Chandra, ... Chemical physics letters 296 (1-2), 93-104, 1998 | 136 | 1998 |
| SCF and limited CI calculations for assignment of the Auger spectrum and of the satellites in the soft X-ray spectrum of H2O H Ågren, S Svensson, UI Wahlgren Chemical Physics Letters 35 (3), 336-344, 1975 | 126 | 1975 |
| Effective core potential parameters for first‐and second‐row atoms LGM Pettersson, U Wahlgren, O Gropen The Journal of chemical physics 86 (4), 2176-2184, 1987 | 123 | 1987 |
| Rates and Mechanisms of Water Exchange of UO22+(aq) and UO2(oxalate)F(H2O)2-: A Variable-Temperature 17O and 19F NMR Study I Farkas, I Bányai, Z Szabó, U Wahlgren, I Grenthe Inorganic Chemistry 39 (4), 799-805, 2000 | 119 | 2000 |
| Effective core potential calculations using frozen orbitals. Applications to transition metals LGM Pettersson, U Wahlgren, O Gropen Chemical physics 80 (1-2), 7-16, 1983 | 118 | 1983 |
| 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 | 114 | 2003 |
| Theoretical study of water-exchange reactions for the divalent ions of the first transition period R Akesson, LGM Pettersson, M Sandstroem, PEM Siegbahn, U Wahlgren The Journal of Physical Chemistry 97 (15), 3765-3774, 1993 | 114* | 1993 |
| A computational and experimental study on the Jahn-Teller effect in the hydrated copper (II) ion. Comparisons with hydrated nickel (II) ions in aqueous solution and solid … B Beagley, A Eriksson, J Lindgren, I Persson, LGM Pettersson, ... Journal of Physics: Condensed Matter 1 (13), 2395, 1989 | 108 | 1989 |