| The Dalton 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 | 1465* | 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 | 356 | 2010 |
| The DIRAC code for relativistic molecular calculations T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ... The Journal of Chemical Physics 152 (20), 204104, 2020 | 274 | 2020 |
| Molecular properties through polarizable embedding JMH Olsen, J Kongsted Adv. Quantum Chem 61, 107-143, 2011 | 175 | 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 | 103 | 2015 |
| Excited states in large molecular systems through polarizable embedding NH List, JMH Olsen, J Kongsted Physical Chemistry Chemical Physics 18 (30), 20234-20250, 2016 | 100 | 2016 |
| PERI–CC2: A Polarizable Embedded RI-CC2 Method T Schwabe, K Sneskov, JMH Olsen, J Kongsted, O Christiansen, ... Journal of Chemical Theory and Computation 8 (9), 3274-3283, 2012 | 93 | 2012 |
| Solvation effects on electronic transitions: Exploring the performance of advanced solvent potentials in polarizable embedding calculations T Schwabe, JMH Olsen, K Sneskov, J Kongsted, O Christiansen Journal of Chemical Theory and Computation 7 (7), 2209-2217, 2011 | 88 | 2011 |
| Quantifying electron transfer reactions in biological systems: what interactions play the major role? E Sjulstok, JMH Olsen, IA Solov’yov Scientific Reports 5 (1), 1-11, 2015 | 85 | 2015 |
| 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 | 84 | 2012 |
| Solvatochromic shifts in uracil: a combined MD-QM/MM study JM Olsen, K Aidas, KV Mikkelsen, J Kongsted Journal of Chemical Theory and Computation 6 (1), 249-256, 2010 | 75 | 2010 |
| Polarizable density embedding: A solution to the electron spill-out problem in multiscale modeling P Reinholdt, J Kongsted, JMH Olsen The Journal of Physical Chemistry Letters 8 (23), 5949-5958, 2017 | 68 | 2017 |
| Dalton Project: A Python platform for molecular-and electronic-structure simulations of complex systems JMH Olsen, S Reine, O Vahtras, E Kjellgren, P Reinholdt, ... The Journal of Chemical Physics 152 (21), 214115, 2020 | 62 | 2020 |
| Damped response theory in combination with polarizable environments: The polarizable embedding complex polarization propagator method MN Pedersen, ED Hedegård, JMH Olsen, J Kauczor, P Norman, ... Journal of Chemical Theory and Computation 10 (3), 1164-1171, 2014 | 62 | 2014 |
| Molecular-level insight into the spectral tuning mechanism of the DsRed chromophore NH List, JMH Olsen, HJA Jensen, AH Steindal, J Kongsted The Journal of Physical Chemistry Letters 3 (23), 3513-3521, 2012 | 58 | 2012 |
| Accuracy of protein embedding potentials: An analysis in terms of electrostatic potentials JMH Olsen, NH List, K Kristensen, J Kongsted Journal of Chemical Theory and Computation 11 (4), 1832-1842, 2015 | 56 | 2015 |
| Performance of popular XC‐functionals for the description of excitation energies in GFP‐like chromophore models NH List, JM Olsen, T Rocha‐Rinza, O Christiansen, J Kongsted International Journal of Quantum Chemistry 112 (3), 789-800, 2012 | 56 | 2012 |
| 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 |
| Analysis of computational models for an accurate study of electronic excitations in GFP T Schwabe, MTP Beerepoot, JMH Olsen, J Kongsted Physical Chemistry Chemical Physics 17 (4), 2582-2588, 2015 | 54 | 2015 |
| Response properties of embedded molecules through the polarizable embedding model C Steinmann, P Reinholdt, MS Nørby, J Kongsted, JMH Olsen International Journal of Quantum Chemistry 119 (1), e25717, 2019 | 51 | 2019 |
Jacob KongstedUniverity of Southern Denmark在 sdu.dk 的电子邮件经过验证
