Chirality Transfer of Stereogenic Boron Centers Enabled by a S$_N$2-Type Mechanism. Organometallics, (43)3:330-340, 2024. [PUMA: chemie kaestner kästner myown stuttgart theochem theoretische] URL
Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis. Chem. Eur. J., (29)52:e202301818, 2023. [PUMA: chemie kaestner kästner myown stuttgart theochem theoretische] URL
Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis. Catal. Sci. Technol., (13)12:3709-3724, 2023. [PUMA: chemie kaestner kästner myown stuttgart theochem theoretische]
Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis. Catal. Sci. Technol., (13)12:3709-3724, 2023. [PUMA: chemie from:kgugeler myown kaestner kästner theoretische stuttgart theochem]
Positioning of grid points for spanning potential energy surfaces–How much effort is really needed?. J. Chem. Phys., (158)14:144118, 2023. [PUMA: EXC2075 chemie kaestner kästner myown pn3 rauhut stuttgart theochem theoretische] URL
Positioning of grid points for spanning potential energy surfaces–How much effort is really needed?. J. Chem. Phys., (158)14:144118, 2023. [PUMA: myown theoretische EXC2075 stuttgart from:danielborn chemie kaestner pn3 kästner rauhut theochem] URL
MolecuSense: Using Force-Feedback Gloves for Creating and Interacting with Ball-and-Stick Molecules in VR. Proceedings of the 15th International Symposium on Visual Information Communication and Interaction, 1–5, Association for Computing Machinery, New York, NY, USA, 2022. [PUMA: EXC2075 chemie koehn köhn myown stuttgart theoretische] URL
MolecuSense: Using Force-Feedback Gloves for Creating and Interacting with Ball-and-Stick Molecules in VR. Proceedings of the 15th International Symposium on Visual Information Communication and Interaction, 1–5, Association for Computing Machinery, New York, NY, USA, 2022. [PUMA: chemie koehn myown from:akoehn köhn theoretische EXC2075 stuttgart] URL
Chasing Polycyclic Natural Products: 5/6/5- or 5/6/6-Carbotricyclic Scaffold Construction via Stereodivergent Diels-Alder Reaction of Chiral Hydrindanes and Their Boron Complexes. Eur. J. Org. Chem., (2022)26:e202101416, 2022. [PUMA: chemie koehn köhn myown stuttgart theoretische] URL
Chasing Polycyclic Natural Products: 5/6/5- or 5/6/6-Carbotricyclic Scaffold Construction via Stereodivergent Diels-Alder Reaction of Chiral Hydrindanes and Their Boron Complexes. Eur. J. Org. Chem., (2022)26:e202101416, 2022. [PUMA: chemie koehn myown from:akoehn köhn theoretische stuttgart] URL
A generalized hybrid scheme for multireference methods. J. Chem. Phys., (155)20:204106, American Institute of Physics, 2021. [PUMA: MRCC chemie myown koehn from:akoehn köhn theoretische stuttgart] URL
Limitations of perturbative coupled-cluster approximations for highly accurate investigations of Rb₂⁺. J. Chem. Phys., (155):124101, 2021. [PUMA: chemie koehn myown from:akoehn köhn theoretische stuttgart] URL
On the Accuracy of Mean-Field Spin–Orbit Operators for 3d Transition-Metal Systems. J. Chem. Theory Comput., (17):5530–5537, 2021. [PUMA: chemie koehn myown from:akoehn köhn theoretische stuttgart] URL
Towards photoassociation processes of ultracold rubidium trimers. Phys. Rev. A, (103):022820, 2021. [PUMA: chemie koehn myown from:akoehn köhn theoretische stuttgart] URL
Improved and simplified orthogonalisation scheme and connected triples correction within the internally contracted multireference coupled-cluster method. Mol. Phys., (118):e1743889, 2020. [PUMA: chemie koehn myown from:akoehn köhn theoretische stuttgart] URL
Limitations of perturbative coupled-cluster approximations for highly accurate investigations of Rb₂⁺. J. Chem. Phys., (155):124101, 2021. [PUMA: chemie koehn köhn myown stuttgart theoretische] URL
Limitations of perturbative coupled-cluster approximations for highly accurate investigations of Rb₂⁺. The Journal of Chemical Physics, (155):124101, 2021. [PUMA: chemie koehn myown from:akoehn köhn theoretische stuttgart] URL
On the Accuracy of Mean-Field Spin–Orbit Operators for 3d Transition-Metal Systems. J. Chem. Theory Comput., (17):5530–5537, 2021. [PUMA: chemie koehn köhn myown stuttgart theoretische] URL
On the Accuracy of Mean-Field Spin–Orbit Operators for 3d Transition-Metal Systems. Journal of Chemical Theory and Computation, (17):5530–5537, 2021. [PUMA: chemie koehn myown from:akoehn köhn theoretische stuttgart] URL
Towards photoassociation processes of ultracold rubidium trimers. Phys. Rev. A, (103):022820, 2021. [PUMA: chemie koehn köhn myown stuttgart theoretische] URL
Towards photoassociation processes of ultracold rubidium trimers. Physical Review A, (103):022820, 2021. [PUMA: chemie koehn myown from:akoehn köhn theoretische stuttgart] URL
Toward fast and accurate ab initio calculation of magnetic exchange in polynuclear lanthanide complexes. Phys. Chem. Chem. Phys., (21)19:9769-9778, The Royal Society of Chemistry, 2019. [PUMA: chemie from:g.rauhut myown rauhut stuttgart theochem theoretische] URL