| Ab initio methods for the calculation of NMR shielding and indirect spin-spin coupling constants T Helgaker, M Jaszunski, K Ruud Chemical Reviews 99, 293-352, 1999 | 1700 | 1999 |
| The D alton quantum chemistry program system K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014 | 1449 | 2014 |
| Recent advances in wave function-based methods of molecular-property calculations T Helgaker, S Coriani, P Jørgensen, K Kristensen, J Olsen, K Ruud Chemical reviews 112 (1), 543-631, 2012 | 705 | 2012 |
| DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... Release 1, 63, 2001 | 351 | 2001 |
| Vibrational Raman optical activity calculations using London atomic orbitals T Helgaker, K Ruud, KL Bak, P Jørgensen, J Olsen Faraday Discussions 99, 165-180, 1994 | 288 | 1994 |
| Multiconfigurational self‐consistent field calculations of nuclear shieldings using London atomic orbitals K Ruud, T Helgaker, R Kobayashi, P Jo/rgensen, KL Bak, HJA Jensen The Journal of chemical physics 100 (11), 8178-8185, 1994 | 276 | 1994 |
| Hartree–Fock limit magnetizabilities from London orbitals K Ruud, T Helgaker, KL Bak, P Jo/rgensen, HJA Jensen The Journal of chemical physics 99 (5), 3847-3859, 1993 | 256 | 1993 |
| An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules K Ruud, PO Åstrand, PR Taylor The Journal of Chemical Physics 112 (6), 2668-2683, 2000 | 251 | 2000 |
| Arbitrary-order density functional response theory from automatic differentiation U Ekström, L Visscher, R Bast, AJ Thorvaldsen, K Ruud Journal of chemical theory and computation 6 (7), 1971-1980, 2010 | 244 | 2010 |
| Perturbation‐dependent atomic orbitals for the calculation of spin‐rotation constants and rotational g tensors J Gauss, K Ruud, T Helgaker The Journal of chemical physics 105 (7), 2804-2812, 1996 | 235 | 1996 |
| Optical rotation studied by density-functional and coupled-cluster methods K Ruud, T Helgaker Chemical physics letters 352 (5-6), 533-539, 2002 | 224 | 2002 |
| Basis-set dependence of nuclear spin-spin coupling constants T Helgaker, M Jaszuński, K Ruud, A Górska Theoretical Chemistry Accounts 99, 175-182, 1998 | 219 | 1998 |
| Gauge‐origin independent multiconfigurational self‐consistent‐field theory for vibrational circular dichroism KL Bak, T Helgaker, K Ruud, HJ Jensen The Journal of chemical physics 98 (11), 8873-8887, 1993 | 215 | 1993 |
| Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP MTP Beerepoot, DH Friese, NH List, J Kongsted, K Ruud Physical Chemistry Chemical Physics 17 (29), 19306-19314, 2015 | 188 | 2015 |
| Vibrational corrections to indirect nuclear spin–spin coupling constants calculated by density-functional theory TA Ruden, OB Lutnæs, T Helgaker, K Ruud The Journal of chemical physics 118 (21), 9572-9581, 2003 | 186 | 2003 |
| Gauge-origin independent density-functional theory calculations of vibrational Raman optical activity K Ruud, T Helgaker, P Bouř The Journal of Physical Chemistry A 106 (32), 7448-7455, 2002 | 177 | 2002 |
| TDDFT diagnostic testing and functional assessment for triazene chromophores MJG Peach, CR Le Sueur, K Ruud, M Guillaume, DJ Tozer Physical Chemistry Chemical Physics 11 (22), 4465-4470, 2009 | 173 | 2009 |
| Ab initio calculation of electronic circular dichroism fortrans-cyclooctene using London atomic orbitals KL Bak, AE Hansen, K Ruud, T Helgaker, J Olsen, P Jørgensen Theoretica chimica acta 90, 441-458, 1995 | 163 | 1995 |
| Excitation energies in solution: the fully polarizable QM/MM/PCM method AH Steindal, K Ruud, L Frediani, K Aidas, J Kongsted The Journal of Physical Chemistry B 115 (12), 3027-3037, 2011 | 156 | 2011 |
| Zero-point vibrational effects on proton shieldings: Functional-group contributions from ab initio calculations K Ruud, PO Åstrand, PR Taylor Journal of the American Chemical Society 123 (20), 4826-4833, 2001 | 155 | 2001 |
Trygve HelgakerUniversity of OsloAdresse e-mail validée de kjemi.uio.no
