| Locating instantons in many degrees of freedom JB Rommel, TPM Goumans, J Kästner Journal of Chemical Theory and Computation 7 (3), 690-698, 2011 | 128 | 2011 |
| Adaptive integration grids in instanton theory improve the numerical accuracy at low temperature JB Rommel, J Kästner The Journal of chemical physics 134 (18), 2011 | 77 | 2011 |
| Role of tunneling in the enzyme glutamate mutase JB Rommel, Y Liu, HJ Werner, J Kästner The Journal of Physical Chemistry B 116 (46), 13682-13689, 2012 | 66 | 2012 |
| Quantum tunneling rates of gas-phase reactions from on-the-fly instanton calculations AN Beyer, JO Richardson, PJ Knowles, J Rommel, SC Althorpe The Journal of Physical Chemistry Letters 7 (21), 4374-4379, 2016 | 59 | 2016 |
| Shallow-tunnelling correction factor for use with Wigner–Eyring transition-state theory Y Zhang, JB Rommel, MT Cvitaš, SC Althorpe Physical Chemistry Chemical Physics 16 (44), 24292-24300, 2014 | 48 | 2014 |
| Kinetic isotope effects calculated with the instanton method J Meisner, JB Rommel, J Kästner Journal of Computational Chemistry 32 (16), 3456-3463, 2011 | 43 | 2011 |
| The fragmentation–recombination mechanism of the enzyme glutamate mutase studied by QM/MM simulations JB Rommel, J Kästner Journal of the American Chemical Society 133 (26), 10195-10203, 2011 | 41 | 2011 |
| Reaction mechanism of the bicopper enzyme peptidylglycine α-hydroxylating monooxygenase E Abad, JB Rommel, J Kaestner Journal of Biological Chemistry 289 (20), 13726-13738, 2014 | 38 | 2014 |
| From prescriptive to predictive: An interdisciplinary perspective on the future of computational chemistry JB Rommel arXiv preprint arXiv:2103.02933, 2021 | 5 | 2021 |
| Kinetics of molecular diffusion and self-assembly: glycine on Cu {110} JB Rommel, DJ Wales The Journal of Physical Chemistry C 122 (1), 782-797, 2018 | 4 | 2018 |
| Improvements to the instanton method: tunneling rates in the enzyme glutamate mutase JB Rommel | 2 | 2012 |
| Quantum Mechanical Tunneling of Atoms in Water, Biochemistry and Astrochemistry TPMF Goumans, S Álvarez-Barcia, JB Rommel, J Kästner XVIIth International Workshop on Quantum Atomic and Molecular Tunneling in …, 2015 | | 2015 |
| Warwick Centre for Predictive Modelling J Rommel | | |
| Density Embedding Methods: Quality Control and Efficiency for Large Metal Clusters JB Rommel | | |
| Vorlesung: Numerische Methoden J Kästner, J Rommel | | |
