Why does a Ga₂ dimer react spontaneously with H₂, but a Ga atom does not? - A detailed quantum chemical investigation of the differences in reactivity between Ga atoms and Ga₂ dimers, in combination with experimental results. Chem. - A Eur. J., (9)16:3909–3919, 2003. [PUMA: chemie koehn Gallium köhn from:alexanderdenzel Ab_initio_calculations Hydrogen theoretische stuttgart theochem Raman_spectroscopy] URL
Transition moments and excited-state first-order properties in the coupled-cluster model CC2 using the resolution-of-the-identity approximation. J. Chem. Phys., (117)15:6939–6951, 2002. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Towards the Hartree-Fock and coupled-cluster singles and doubles basis set limit: A study of various models that employ single excitations into a complementary auxiliary basis set. J. Chem. Phys., (132)2:24101, 2010. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Towards photoassociation processes of ultracold rubidium trimers. Physical Review A, (103):022820, 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
Thermotropic MIDA Boronates as a Case Study for the Role of Dipolar Interactions in Liquid Crystalline Self-Assembly. Chem. - A Eur. J., (23)17:4149–4159, 2017. [PUMA: köhn theoretische stuttgart liquid_crystals chemie columnar koehn boronate from:alexanderdenzel MIDA quantum_chemical_calculation theochem smectic] URL
Thermally Averaged Magnetic Anisotropy Tensors via Machine Learning Based on Gaussian Moments. J. Chem. Theory Comput., (18):1-12, 2022. [PUMA: chemie koehn kaestner köhn kästner pn6 theoretische stuttgart EXC2075 from:danielborn theochem] URL
Theoretical study on clusters of magnesium. Phys. Chem. Chem. Phys., (3)5:711–719, 2001. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Theoretical investigation of electronic excitation energy transfer in bichromophoric assemblies. J. Chem. Phys., (128)7:74505, 2008. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
The trust-region self-consistent field method in Kohn-Sham density-functional theory. J. Chem. Phys., (123)7:74103, 2005. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL