| 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 | 1441* | 2014 |
| 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 | 155 | 2011 |
| The elephant in the room of density functional theory calculations SR Jensen, S Saha, JA Flores-Livas, W Huhn, V Blum, S Goedecker, ... The journal of physical chemistry letters 8 (7), 1449-1457, 2017 | 134 | 2017 |
| Multiconfigurational self-consistent field linear response for the polarizable continuum model: Theory and application to ground and excited-state polarizabilities of para … R Cammi, L Frediani, B Mennucci, K Ruud The Journal of chemical physics 119 (12), 5818-5827, 2003 | 132 | 2003 |
| Two-photon absorption in solution by means of time-dependent density-functional theory and the polarizable continuum model L Frediani, Z Rinkevicius, H Ågren The Journal of chemical physics 122 (24), 2005 | 130 | 2005 |
| Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of push–pull phenylpolyenes in solution L Ferrighi, L Frediani, C Cappelli, P Sałek, H Ågren, T Helgaker, K Ruud Chemical physics letters 425 (4-6), 267-272, 2006 | 108 | 2006 |
| A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation R Cammi, L Frediani, B Mennucci, J Tomasi, K Ruud, KV Mikkelsen The Journal of chemical physics 117 (1), 13-26, 2002 | 88 | 2002 |
| A polarizable continuum model for molecules at diffuse interfaces L Frediani, R Cammi, S Corni, J Tomasi The Journal of chemical physics 120 (8), 3893-3907, 2004 | 87 | 2004 |
| A combined quantum mechanics/molecular mechanics study of the one-and two-photon absorption in the green fluorescent protein AH Steindal, JMH Olsen, K Ruud, L Frediani, J Kongsted Physical Chemistry Chemical Physics 14 (16), 5440-5451, 2012 | 82 | 2012 |
| Solvent effects on the indirect spin–spin coupling constants of benzene: the DFT-PCM approach K Ruud, L Frediani, R Cammi, B Mennucci International Journal of Molecular Sciences 4 (3), 119-134, 2003 | 80 | 2003 |
| Solvent effects on two-photon absorption of dialkylamino substituted distyrylbenzene chromophore K Zhao, L Ferrighi, L Frediani, CK Wang, Y Luo The Journal of chemical physics 126 (20), 2007 | 78 | 2007 |
| Solvent effects on Raman optical activity spectra calculated using the polarizable continuum model M Pecul, E Lamparska, C Cappelli, L Frediani, K Ruud The Journal of Physical Chemistry A 110 (8), 2807-2815, 2006 | 67 | 2006 |
| Fully adaptive algorithms for multivariate integral equations using the non-standard form and multiwavelets with applications to the Poisson and bound-state Helmholtz kernels … L Frediani, E Fossgaard, T Flå, K Ruud Molecular Physics 111 (9-11), 1143-1160, 2013 | 60 | 2013 |
| Second-harmonic generation of solvated molecules using multiconfigurational self-consistent-field quadratic response theory and the polarizable continuum model L Frediani, H Ågren, L Ferrighi, K Ruud The Journal of chemical physics 123 (14), 2005 | 59 | 2005 |
| Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved SR Jensen, T Flå, D Jonsson, RS Monstad, K Ruud, L Frediani Physical Chemistry Chemical Physics 18 (31), 21145-21161, 2016 | 56 | 2016 |
| A polarizable embedding DFT study of one-photon absorption in fluorescent proteins MTP Beerepoot, AH Steindal, J Kongsted, BO Brandsdal, L Frediani, ... Physical Chemistry Chemical Physics 15 (13), 4735-4743, 2013 | 55 | 2013 |
| Quantum-mechanical continuum solvation study of the polarizability of halides at the water/air interface L Frediani, B Mennucci, R Cammi The Journal of Physical Chemistry B 108 (36), 13796-13806, 2004 | 47 | 2004 |
| Toward a general formulation of dispersion effects for solvation continuum models V Weijo, B Mennucci, L Frediani Journal of Chemical Theory and Computation 6 (11), 3358-3364, 2010 | 44 | 2010 |
| An IEF-PCM study of solvent effects on the Faraday term of MCD H Solheim, L Frediani, K Ruud, S Coriani Theoretical Chemistry Accounts 119 (1), 231-244, 2008 | 38 | 2008 |
| Two-photon absorption of [2.2] paracyclophane derivatives in solution: A theoretical investigation L Ferrighi, L Frediani, E Fossgaard, K Ruud The Journal of chemical physics 127 (24), 2007 | 37 | 2007 |
Kenneth RuudHylleraas Centre for Quantum Molecular Sciences, University of Tromsø-The Arctic University of在 uit.no 的电子邮件经过验证
