| 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 | 929 | 2014 |
| X-ray emission spectroscopy evidences a central carbon in the nitrogenase iron-molybdenum cofactor KM Lancaster, M Roemelt, P Ettenhuber, Y Hu, MW Ribbe, F Neese, ... Science 334 (6058), 974-977, 2011 | 701 | 2011 |
| Место установки программы:/opt/lib/dalton/Книги и статьи:• Aidas K., Angeli C., Bak KL The Dalton quantum chemistry program system.//Wires computational molecular science, 2014 … K Aidas science 4 (3), 269-284, 2014 | 155 | 2014 |
| Linear-scaling coupled cluster with perturbative triple excitations: The divide–expand–consolidate CCSD (T) model JJ Eriksen, P Baudin, P Ettenhuber, K Kristensen, T Kjærgaard, ... Journal of chemical theory and computation 11 (7), 2984-2993, 2015 | 69 | 2015 |
| Wiley Interdiscip. Rev.: Comput. Mol. Sci. 4, 269 (2014) K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... | 55 | |
| The Divide-Expand-Consolidate MP2 scheme goes massively parallel K Kristensen, T Kjærgaard, IM Høyvik, P Ettenhuber, P Jørgensen, ... Molecular Physics, 2013 | 42 | 2013 |
| Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide–expand–consolidate RI-MP2 model P Baudin, P Ettenhuber, S Reine, K Kristensen, T Kjærgaard The Journal of chemical physics 144 (5), 054102, 2016 | 38 | 2016 |
| M.; de Merás K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... AS, 0 | 24 | |
| Orbital spaces in the divide-expand-consolidate coupled cluster method P Ettenhuber, P Baudin, T Kjærgaard, P Jørgensen, K Kristensen The Journal of chemical physics 144 (16), 164116, 2016 | 20 | 2016 |
| WIREs Comput. Mol. Sci. 4, 269 (2014) K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... | 17 | |
| A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD) P Baudin, D Bykov, D Liakh, P Ettenhuber, K Kristensen Molecular Physics 115 (17-18), 2135-2144, 2017 | 15 | 2017 |
| Discarding information from previous iterations in an optimal way to solve the coupled cluster amplitude equations P Ettenhuber, P Jørgensen Journal of chemical theory and computation 11 (4), 1518-1524, 2015 | 13 | 2015 |
| The same number of optimized parameters scheme for determining intermolecular interaction energies K Kristensen, P Ettenhuber, JJ Eriksen, F Jensen, P Jørgensen The Journal of chemical physics 142 (11), 114116, 2015 | 12 | 2015 |
| H. gren, WIREs Comput K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Mol. Sci 4, 269-284, 2014 | 12 | 2014 |
| Massively parallel and linear-scaling algorithm for second-order Møller–Plesset perturbation theory applied to the study of supramolecular wires T Kjaergaard, P Baudin, D Bykov, JJ Eriksen, P Ettenhuber, K Kristensen, ... Computer Physics Communications 212, 152-160, 2017 | 9 | 2017 |
| Simen Reine, Zilvinas Rinkevicius, Torgeir a K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... | 4 | 2014 |
| Science2011, 334, 974; b) T KM Lancaster, M Roemelt, P Ettenhuber, Y Hu, MW Ribbe, F Neese, ... Spatzal, M. Aksoyoglu, L. Zhang, SLA Andrade, E. Schleicher, S. Weber, DC …, 2011 | 3 | 2011 |
| Chemical energy conversion in biology: Recent theoretical results on the active sites of nitrogenase and photosystem II F Neese, D Pantazis, W Ames, V Krewald, M Romelt, P Ettenhuber, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011 | | 2011 |
| DALTON2015–lsDalton Program Manual V Bakken, R Bast, P Baudin, S Coriani, R Di Remigio, P Ettenhuber, ... | | |
Kasper KristensenPost Doc, Aarhus UniversityEmail verificata su chem.au.dk
