| Quantum Chemical Description of Absorption Properties and Excited‐State Processes in Photosynthetic Systems C König, J Neugebauer ChemPhysChem 13 (2), 386-425, 2012 | 139 | 2012 |
| State-specific embedding potentials for excitation-energy calculations C Daday, C König, O Valsson, J Neugebauer, C Filippi Journal of chemical theory and computation 9 (5), 2355-2367, 2013 | 92 | 2013 |
| First-principles calculation of electronic spectra of light-harvesting complex II C König, J Neugebauer Physical Chemistry Chemical Physics 13 (22), 10475-10490, 2011 | 81 | 2011 |
| Wavefunction in density functional theory embedding for excited states: Which wavefunctions, which densities? C Daday, C König, J Neugebauer, C Filippi ChemPhysChem 15 (15), 3205-3217, 2014 | 71 | 2014 |
| Wavefunction in density functional theory embedding for excited states: Which wavefunctions, which densities? C Daday, C König, J Neugebauer, C Filippi ChemPhysChem 15 (15), 3205-3217, 2014 | 71 | 2014 |
| Protein effects on the optical spectrum of the Fenna–Matthews–Olson complex from fully quantum chemical calculations C König, J Neugebauer Journal of chemical theory and computation 9 (3), 1808-1820, 2013 | 71 | 2013 |
| Linear-scaling generation of potential energy surfaces using a double incremental expansion C König, O Christiansen The Journal of Chemical Physics 145, 064105, 2016 | 56 | 2016 |
| Hybrid Optimized and Localized Vibrational Coordinates EL Klinting, C König, O Christiansen The Journal of Physical Chemistry A 119 (44), 11007-11021, 2015 | 47 | 2015 |
| Direct determination of exciton couplings from subsystem time-dependent density-functional theory within the Tamm–Dancoff approximation C König, N Schlüter, J Neugebauer The Journal of Chemical Physics 138 (3), 2013 | 44 | 2013 |
| FALCON: A method for flexible adaptation of local coordinates of nuclei C König, MB Hansen, IH Godtliebsen, O Christiansen The Journal of chemical physics 144 (7), 074108, 2016 | 39 | 2016 |
| Automatic determination of important mode–mode correlations in many-mode vibrational wave functions C König, O Christiansen The Journal of Chemical Physics 142 (14), 2015 | 36 | 2015 |
| VIA-MD: visual interactive analysis of molecular dynamics R Skånberg, C König, P Norman, M Linares, D Jönsson, I Hotz, ... Proceedings of the Workshop on Molecular Graphics and Visual Analysis of …, 2018 | 34 | 2018 |
| Mono‐and Dinuclear NiII and CoII Complexes that Feature Chelating Guanidine Ligands: Structural Characteristics and Molecular Magnetism P Roquette, C König, O Hübner, A Wagner, E Kaifer, M Enders, ... European Journal of Inorganic Chemistry 2010 (30), 4770-4782, 2010 | 32 | 2010 |
| Syntheses of the First Coordination Compounds of the New Strong Molecular Electron Donor and Double Proton Sponge 1, 4, 5, 8‐Tetrakis (tetramethylguanidino) naphthalene V Vitske, C König, O Hübner, E Kaifer, HJ Himmel European Journal of Inorganic Chemistry 2010 (1), 115-126, 2010 | 31 | 2010 |
| Binding sites for luminescent amyloid biomarkers from non-biased molecular dynamics simulations C König, R Skånberg, I Hotz, A Ynnerman, P Norman, M Linares Chemical Communications 54 (24), 3030-3033, 2018 | 29 | 2018 |
| Anharmonic vibrational spectra from double incremental potential energy and dipole surfaces D Madsen, O Christiansen, C König Physical Chemistry Chemical Physics 20 (5), 3445-3456, 2018 | 26 | 2018 |
| Exciton Coupling Mechanisms Analyzed with Subsystem TDDFT: Direct vs Pseudo Exchange Effects C König, J Neugebauer The Journal of Physical Chemistry B 117 (13), 3480-3487, 2013 | 22 | 2013 |
| Vibrationally resolved emission spectra of luminescent conjugated oligothiophenes from anharmonic calculations D Madsen, O Christiansen, P Norman, C König Physical Chemistry Chemical Physics 21 (31), 17410-17422, 2019 | 19 | 2019 |
| Tau Protein Binding Modes in Alzheimer’s Disease for Cationic Luminescent Ligands Y Todarwal, C Gustafsson, NN Thi Minh, I Ertzgaard, T Klingstedt, B Ghetti, ... The Journal of Physical Chemistry B 125 (42), 11628-11636, 2021 | 17 | 2021 |
| MidasCpp (molecular interactions, dynamics and simulation chemistry program package in C++) O Christiansen, IH Godtliebsen, EM Gras, W Győrffy, MB Hansen, ... University of Aarhus, www. chem. au. dk/midas, 2016 | 17 | 2016 |
Ove ChristiansenDepartment of Chemistry, Aarhus UniversityEmail verificata su chem.au.dk
