Embedded Multireference Coupled Cluster Theory. J. Chem. Theory Comput., (14)2:693–709, 2018. [PUMA: chemie from:alexanderdenzel imported koehn köhn stuttgart theochem theoretische werner] URL
Complete basis set results in electron correlation methods using F12 theory. Chem. Model., (10):32-63, 2013. [PUMA: chemie from:alexanderdenzel imported koehn köhn stuttgart theochem theoretische] URL
Doping mechanism of MoO₃ in 4,4′-Bis(N-carbazolyl)-1,1′-biphenyl: A photoelectron spectroscopic study. Phys. Status Solidi Basic Res., (253)9:1697–1706, 2016. [PUMA: photoelectron_spectroscopy köhn charge_transfer doping theoretische stuttgart chemie CBP MoO₃ koehn from:alexanderdenzel organic/inorganic_interfaces theochem] URL
A series of MIICuII3stars (M = Mn, Ni, Cu, Zn) exhibiting unusual magnetic properties. Inorg. Chem., (54)1:117–131, 2015. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
A worrisome failure of the CC2 coupled-cluster method when applied to ozone. Chem. Phys. Lett., (495)1-3:135–140, 2010. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Response properties with explicitly correlated coupled-cluster methods using a Slater-type correlation factor and cusp conditions. J. Chem. Phys., (131)12:124118, 2009. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Solvent effects on electronically excited states using the conductor-like screening model and the second-order correlated method ADC(2). J. Chem. Theory Comput., (9)2:977–994, 2013. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Rigidified Push–Pull Dyes: Using Chromophore Size, Donor, and Acceptor Units to Tune the Ground State between Neutral and the Cyanine Limit. Chempluschem, (82)9:1197–1210, 2017. [PUMA: dyes/pigments köhn theoretische stuttgart chemie density_functional_calculations koehn UV/Vis_spectroscopy donor–acceptor_systems from:alexanderdenzel theochem NMR_spectroscopy] URL
Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12. J. Chem. Phys., (132)23:231102, 2010. [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
A modified ansatz for explicitly correlated coupled-cluster wave functions that is suitable for response theory. J. Chem. Phys., (130)10:104104, 2009. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Explicitly correlated connected triple excitations in coupled-cluster theory. J. Chem. Phys., (130)13:131101, 2009. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Comment on 'efficient calculation of canonical MP2 energies '［P. Pulay, S. Saebø, K. Wolinski, Chem. Phys. Lett. 344 (2001) 543-552］. Chem. Phys. Lett., (358)3-4:350–353, 2002. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
A sequential transformation approach to the internally contracted multireference coupled cluster method. J. Chem. Phys., (136)20:204108, 2012. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
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
Internally Contracted Multireference Coupled Cluster Calculations with a Spin-Free Dirac-Coulomb Hamiltonian: Application to the Monoxides of Titanium, Zirconium, and Hafnium. J. Chem. Theory Comput., (13)7:3171–3184, 2017. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Excited states with internally contracted multireference coupled-cluster linear response theory. J. Chem. Phys., (140)13:134108, 2014. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Explicitly correlated coupled-cluster theory using cusp conditions. I. Perturbation analysis of coupled-cluster singles and doubles (CCSD-F12). J. Chem. Phys., (133)17:174117, 2010. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Synthesis of the AB ring system of clifednamide utilizing Claisen rearrangement and Diels-Alder reaction as key steps. Org. Biomol. Chem., (14)3:884–894, 2016. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL
Photodissociation spectroscopy of Ag₄⁺(N₂)ₘ, m = 0-4. J. Chem. Phys., (113)13:5361–5371, 2000. [PUMA: chemie imported koehn köhn from:alexanderdenzel theoretische stuttgart theochem] URL