The Brønsted–Evans–Polanyi relation and the volcano plot for ammonia synthesis over transition metal catalysts A Logadottir, TH Rod, JK Nørskov, B Hammer, S Dahl, CJH Jacobsen
Journal of Catalysis 197 (2), 229-231, 2001
690 2001 Ammonia synthesis at low temperatures TH Rod, A Logadottir, JK Nørskov
The Journal of Chemical Physics 112 (12), 5343-5347, 2000
279 2000 Correlated motion and the effect of distal mutations in dihydrofolate reductase TH Rod, JL Radkiewicz, CL Brooks III
Proceedings of the National Academy of Sciences 100 (12), 6980-6985, 2003
268 2003 Quantum mechanical free energy barrier for an enzymatic reaction TH Rod, U Ryde
Physical review letters 94 (13), 138302, 2005
170 2005 Accurate QM/MM Free Energy Calculations of Enzyme Reactions: Methylation by Catechol O -Methyltransferase TH Rod, U Ryde
Journal of Chemical Theory and Computation 1 (6), 1240-1251, 2005
162 2005 Prediction of activation energies for hydrogen abstraction by cytochrome P450 L Olsen, P Rydberg, TH Rod, U Ryde
Journal of medicinal chemistry 49 (22), 6489-6499, 2006
138 2006 ICET–a Python library for constructing and sampling alloy cluster expansions M Ångqvist, WA Muñoz, JM Rahm, E Fransson, C Durniak, P Rozyczko, ...
Advanced Theory and Simulations 2 (7), 1900015, 2019
133 2019 Modeling the nitrogenase FeMo cofactor TH Rod, JK Nørskov
Journal of the American Chemical Society 122 (51), 12751-12763, 2000
124 2000 Nitrogen Adsorption and Hydrogenation on a TH Rod, B Hammer, JK Nørskov
Physical review letters 82 (20), 4054, 1999
90 1999 Nitrogen adsorption and hydrogenation on a MoFe 6 S 9 complex TH Rod, B Hammer, JK Nørskov
Physical review letters 82 (20), 4054, 1999
90 1999 How dihydrofolate reductase facilitates protonation of dihydrofolate TH Rod, CL Brooks
Journal of the American Chemical Society 125 (29), 8718-8719, 2003
69 2003 The protonation status of compound II in myoglobin, studied by a combination of experimental data and quantum chemical calculations: quantum refinement K Nilsson, HP Hersleth, TH Rod, KK Andersson, U Ryde
Biophysical journal 87 (5), 3437-3447, 2004
59 2004 Dynamics of water molecules in the active-site cavity of human cytochromes P450 P Rydberg, TH Rod, L Olsen, U Ryde
The Journal of Physical Chemistry B 111 (19), 5445-5457, 2007
54 2007 Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferase TH Rod, P Rydberg, U Ryde
The Journal of chemical physics 124 (17), 2006
30 2006 The surface science of enzymes TH Rod, JK Nørskov
Surface science 500 (1-3), 678-698, 2002
29 2002 Bragg-edge attenuation spectra at voxel level from 4D wavelength-resolved neutron tomography C Carminati, M Strobl, T Minniti, P Boillat, J Hovind, M Morgano, ...
Journal of Applied Crystallography 53 (1), 188-196, 2020
20 2020 ESS conceptual design report S Peggs, K Andersen, D Argyriou, K Batkov, C B'ohme, S Bousson, ...
European Spallation Source, 2012
20 2012 Orbital alignment dependence of electron transfer cross sections. III. Coupled channel results for He+-Na (3s, 3p) collisions TH Rod, SE Nielsen
Journal of Physics B: Atomic, Molecular and Optical Physics 28 (19), L607, 1995
18 1995 Hardware aspects, modularity and integration of an event mode data acquisition and instrument control for the European Spallation Source (ESS) T Gahl, M Hagen, R Hall-Wilton, S Kolya, M Koennecke, M Rescic, ...
arXiv preprint arXiv:1507.01838, 2015
8 2015 Guidelines for collaborative development of sustainable data treatment software J Wuttke, S Cottrell, MA Gonzalez, A Kaestner, A Markvardsen, TH Rod, ...
Journal of Neutron Research 24 (1), 33-72, 2022
6 2022 