| Damped response theory in combination with polarizable environments: The polarizable embedding complex polarization propagator method MN Pedersen, ED Hedegard, JMH Olsen, J Kauczor, P Norman, ... Journal of Chemical Theory and Computation 10 (3), 1164-1171, 2014 | 62 | 2014 |
| 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 | 56 | 2019 |
| Theoretical study on ThF+, a prospective system in search of time-reversal violation M Denis, MS Nørby, HJA Jensen, ASP Gomes, MK Nayak, S Knecht, ... New Journal of Physics 17 (4), 043005, 2015 | 52 | 2015 |
| Effect of Polarization on the Mobility of C60: A Kinetic Monte Carlo Study R Volpi, S Kottravel, MS Nørby, S Stafstrom, M Linares Journal of chemical theory and computation 12 (2), 812-824, 2016 | 28 | 2016 |
| Computational approach for studying optical properties of DNA systems in solution MS Nørby, C Steinmann, JMH Olsen, H Li, J Kongsted Journal of Chemical Theory and Computation 12 (10), 5050-5057, 2016 | 26 | 2016 |
| Correlated four-component EPR g-tensors for doublet molecules MS Vad, MN Pedersen, A Nørager, HJA Jensen The Journal of Chemical Physics 138 (21), 2013 | 26 | 2013 |
| DNA electronic circular dichroism on the inter-base pair scale: an experimental–theoretical case study of the at homo-oligonucleotide F Di Meo, MN Pedersen, J Rubio-Magnieto, M Surin, M Linares, ... The journal of physical chemistry letters 6 (3), 355-359, 2015 | 25 | 2015 |
| Theoretical Study of the Charge-Transfer State Separation within Marcus Theory: The C60-Anthracene Case Study R Volpi, R Nassau, MS Nørby, M Linares ACS Applied Materials & Interfaces 8 (37), 24722-24736, 2016 | 23 | 2016 |
| Enhancement of internal motions of lysozyme through interaction with gold nanoclusters and its optical imaging SK Mudedla, ERA Singam, J Vijay Sundar, MN Pedersen, NA Murugan, ... The Journal of Physical Chemistry C 119 (1), 653-664, 2015 | 21 | 2015 |
| Absorption spectra of FAD embedded in cryptochromes C Nielsen, MS Nørby, J Kongsted, IA Solov’yov The Journal of Physical Chemistry Letters 9 (13), 3618-3623, 2018 | 19 | 2018 |
| Modeling electronic circular dichroism within the polarizable embedding approach MS Nørby, JMH Olsen, C Steinmann, J Kongsted Journal of Chemical Theory and Computation 13 (9), 4442-4451, 2017 | 14 | 2017 |
| Modeling of magnetic circular dichroism and UV/Vis absorption spectra using fluctuating charges or polarizable embedding within a resonant-convergent response theory formalism P Reinholdt, MS Nørby, J Kongsted Journal of Chemical Theory and Computation 14 (12), 6391-6404, 2018 | 13 | 2018 |
| Assessing frequency-dependent site polarisabilities in linear response polarisable embedding MS Nørby, O Vahtras, P Norman, J Kongsted Molecular Physics 115 (1-2), 39-47, 2017 | 13 | 2017 |
| PElib: The Polarizable Embedding Library JMH Olsen, NH List, C Steinmann, AH Steindal, MS Nørby, P Reinholdt Zenodo, 2018 | 10 | 2018 |
| PElib: The Polarizable Embedding library, 2018 JMH Olsen, NH List, C Steinmann, AH Steindal, MS Nørby, P Reinholdt DOI, 0 | 10 | |
| Modeling magnetic circular dichroism within the polarizable embedding approach MS Nørby, S Coriani, J Kongsted Theoretical Chemistry Accounts 137 (4), 49, 2018 | 7 | 2018 |
| One-photon absorption properties from a hybrid Polarizable Density Embedding/Complex Polarization Propagator approach for polarizable solutions D Hrsak, MS Nørby, S Coriani, J Kongsted Journal of chemical theory and computation 14 (4), 2145-2154, 2018 | 5 | 2018 |
| Multipole moments for embedding potentials: Exploring different atomic allocation algorithms M S. Nørby, J Magnus Haugaard Olsen, J Kongsted, HJ Aagard Jensen Journal of Computational Chemistry 37 (20), 1887-1896, 2016 | 5 | 2016 |
| Basis set error estimation for DFT calculations of electronic g‐tensors for transition metal complexes MN Pedersen, ED Hedegård, J Kongsted Journal of Computational Chemistry 35 (25), 1809-1814, 2014 | 4 | 2014 |
| Linear dæmpet responsteori indenfor polarizable embedding MS Nørby | | 2017 |
Jacob KongstedUniverity of Southern DenmarkBestätigte E-Mail-Adresse bei sdu.dk
