| 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 | 1491* | 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 | 365 | 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 | 320 | 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 | 246 | 2002 |
| 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 | 192 | 2015 |
| Molecular properties through polarizable embedding JMH Olsen, J Kongsted Advances in quantum chemistry 61, 107-143, 2011 | 180 | 2011 |
| Photosynthetic light-harvesting is tuned by the heterogeneous polarizable environment of the protein C Curutchet, J Kongsted, A Muñoz-Losa, H Hossein-Nejad, GD Scholes, ... Journal of the American Chemical Society 133 (9), 3078-3084, 2011 | 174 | 2011 |
| The journey of HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) from lab to clinic V Namasivayam, M Vanangamudi, VG Kramer, S Kurup, P Zhan, X Liu, ... Journal of medicinal chemistry 62 (10), 4851-4883, 2018 | 163 | 2018 |
| 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), 2007 | 161 | 2007 |
| An improved method to predict the entropy term with the MM/PBSA approach J Kongsted, U Ryde Journal of Computer-Aided Molecular Design 23, 63-71, 2009 | 159 | 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 | 156 | 2011 |
| The polarizable embedding coupled cluster method K Sneskov, T Schwabe, J Kongsted, O Christiansen The Journal of Chemical Physics 134 (10), 2011 | 148 | 2011 |
| 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 | 146 | 2002 |
| Overview of recent strategic advances in medicinal chemistry G Wu, T Zhao, D Kang, J Zhang, Y Song, V Namasivayam, J Kongsted, ... Journal of medicinal chemistry 62 (21), 9375-9414, 2019 | 144 | 2019 |
| 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 | 144 | 2013 |
| 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 | 144 | 2003 |
| 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 | 124 | 2005 |
| 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 | 114 | 2005 |
| 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 | 113 | 2011 |
| Polarizable density embedding: A new QM/QM/MM-based computational strategy JMH Olsen, C Steinmann, K Ruud, J Kongsted The Journal of Physical Chemistry A 119 (21), 5344-5355, 2015 | 104 | 2015 |
