| 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 | 1104* | 2014 |
| Excited states in solution through polarizable embedding JM Olsen, K Aidas, J Kongsted Journal of Chemical Theory and Computation 6 (12), 3721-3734, 2010 | 298 | 2010 |
| Electronic energy transfer in condensed phase studied by a polarizable QM/MM model C Curutchet, A Munoz-Losa, S Monti, J Kongsted, GD Scholes, ... Journal of chemical theory and computation 5 (7), 1838-1848, 2009 | 261 | 2009 |
| Polarizability of molecular clusters as calculated by a dipole interaction model L Jensen, PO Åstrand, A Osted, J Kongsted, KV Mikkelsen The Journal of chemical physics 116 (10), 4001-4010, 2002 | 218 | 2002 |
| Photosynthetic light-harvesting is tuned by the heterogeneous polarizable environment of the protein C Curutchet, J Kongsted, A Munoz-Losa, H Hossein-Nejad, GD Scholes, ... Journal of the American Chemical Society 133 (9), 3078-3084, 2011 | 151 | 2011 |
| Density functional self-consistent quantum mechanics/molecular mechanics theory for linear and nonlinear molecular properties: Applications to solvated water and formaldehyde CB Nielsen, O Christiansen, KV Mikkelsen, J Kongsted The Journal of chemical physics 126 (15), 154112, 2007 | 145 | 2007 |
| Molecular properties through polarizable embedding JMH Olsen, J Kongsted Advances in quantum chemistry 61, 107-143, 2011 | 138 | 2011 |
| An improved method to predict the entropy term with the MM/PBSA approach J Kongsted, U Ryde Journal of computer-aided molecular design 23 (2), 63-71, 2009 | 137 | 2009 |
| 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 | 135 | 2011 |
| Linear response functions for coupled cluster/molecular mechanics including polarization interactions J Kongsted, A Osted, KV Mikkelsen, O Christiansen The Journal of chemical physics 118 (4), 1620-1633, 2003 | 131 | 2003 |
| The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories J Kongsted, A Osted, KV Mikkelsen, O Christiansen Molecular Physics 100 (11), 1813-1828, 2002 | 131 | 2002 |
| The polarizable embedding coupled cluster method K Sneskov, T Schwabe, J Kongsted, O Christiansen The Journal of Chemical Physics 134 (10), 03B608, 2011 | 128 | 2011 |
| Coupled cluster calculation of the n→ π* electronic transition of acetone in aqueous solution K Aidas, J Kongsted, A Osted, KV Mikkelsen, O Christiansen The Journal of Physical Chemistry A 109 (35), 8001-8010, 2005 | 118 | 2005 |
| 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 | 108 | 2015 |
| Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution J Kongsted, TB Pedersen, M Strange, A Osted, AE Hansen, KV Mikkelsen, ... Chemical physics letters 401 (4-6), 385-392, 2005 | 108 | 2005 |
| Benchmarking time-dependent density functional theory for excited state geometries of organic molecules in gas-phase and in solution CA Guido, S Knecht, J Kongsted, B Mennucci Journal of chemical theory and computation 9 (5), 2209-2220, 2013 | 107 | 2013 |
| Scrutinizing the effects of polarization in QM/MM excited state calculations K Sneskov, T Schwabe, O Christiansen, J Kongsted Physical Chemistry Chemical Physics 13 (41), 18551-18560, 2011 | 97 | 2011 |
| Coupled cluster and density functional theory studies of the vibrational contribution to the optical rotation of (S)-propylene oxide J Kongsted, TB Pedersen, L Jensen, AE Hansen, KV Mikkelsen Journal of the American Chemical Society 128 (3), 976-982, 2006 | 87 | 2006 |
| Solvent effects on the electronic transition in formaldehyde: A combined coupled cluster/molecular dynamics study J Kongsted, A Osted, KV Mikkelsen, PO Åstrand, O Christiansen The Journal of chemical physics 121 (17), 8435-8445, 2004 | 87 | 2004 |
| How accurate are continuum solvation models for drug-like molecules? J Kongsted, P Söderhjelm, U Ryde Journal of Computer-Aided Molecular Design 23 (7), 395-409, 2009 | 85 | 2009 |
