Publications

Tina Mathea, Bo Lu, Xiaoqing Zeng, Benjamin Schröder, and Guntram Rauhut. A combined computational and experimental study on the vibrational structure of ethynyl isothiocyanate, HCCNCS, a molecule with a Champagne bottle potential. J. Mol. Spectrosc., (386):111626, 2022. [PUMA: chemie myown rauhut stuttgart theochem] URL

Tina Mathea, Bo Lu, Xiaoqing Zeng, Benjamin Schröder, and Guntram Rauhut. A combined computational and experimental study on the vibrational structure of ethynyl isothiocyanate, HCCNCS, a molecule with a Champagne bottle potential. J. Mol. Spectrosc., (386):111626, 2022. [PUMA: chemie myown rauhut from:g.rauhut stuttgart theochem]

A. Waigum, J. A. Black, and A. Köhn. A generalized hybrid scheme for multireference methods. J. Chem. Phys., (155)20:204106, American Institute of Physics, 2021. [PUMA: MRCC chemie koehn myown from:akoehn köhn theoretische stuttgart] URL

Martin Tschöpe, and Guntram Rauhut. A theoretical study of propynal under interstellar conditions and beyond, covering low-frequency infrared spectra, spectroscopic constants, and hot bands. Mon. Not. R. Astron. Soc., (520):3345-3354, 2023. [PUMA: chemie myown rauhut from:g.rauhut stuttgart theochem] URL

Martin Tschöpe, and Guntram Rauhut. A theoretical study of propynal under interstellar conditions and beyond, covering low-frequency infrared spectra, spectroscopic constants, and hot bands. Mon. Not. R. Astron. Soc., (520):3345-3354, 2023. [PUMA: chemie myown rauhut stuttgart theochem] URL

Sebastian Erfort, Martin Tschöpe, Guntram Rauhut, Xiaoqing Zeng, and David P. Tew. Ab initio calculation of rovibrational states for non-degenerate double-well potentials: cis–trans isomerization of HOPO. J. Chem. Phys., (152)17:174306, 2020. [PUMA: chemie myown rauhut from:g.rauhut stuttgart theochem] URL

Sebastian Erfort, Martin Tschöpe, Guntram Rauhut, Xiaoqing Zeng, and David P. Tew. Ab initio calculation of rovibrational states for non-degenerate double-well potentials: cis–trans isomerization of HOPO. J. Chem. Phys., (152)17:174306, 2020. [PUMA: chemie myown rauhut stuttgart theochem] URL

Taras Petrenko, and Guntram Rauhut. Account of non-Condon effects in time-independent Raman wavefunction theory: Calculation of the S1 ← S0 vibronic absorption spectrum of formaldehyde. J. Chem. Phys., (152)11:114109, 2020. [PUMA: chemie myown rauhut stuttgart theochem] URL

Taras Petrenko, and Guntram Rauhut. Account of non-Condon effects in time-independent Raman wavefunction theory: Calculation of the S1 ← S0 vibronic absorption spectrum of formaldehyde. J. Chem. Phys., (152)11:114109, 2020. [PUMA: chemie myown rauhut from:g.rauhut stuttgart theochem] URL

Tina Mathea, Taras Petrenko, and Guntram Rauhut. Advances in vibrational configuration interaction theory - part 2: Fast screening of the correlation space. J. Comput. Chem., (43)1:6-18, 2022. [PUMA: chemie myown rauhut stuttgart theochem] URL

Tina Mathea, Taras Petrenko, and Guntram Rauhut. Advances in vibrational configuration interaction theory - part 2: Fast screening of the correlation space. J. Comput. Chem., (43)1:6-18, 2022. [PUMA: chemie myown rauhut from:g.rauhut stuttgart theochem] URL

Tina Mathea, and Guntram Rauhut. Assignment of vibrational states within configuration interaction calculations. J. Chem. Phys., (152)19:194112, 2020. [PUMA: chemie myown rauhut from:g.rauhut stuttgart theochem] URL

Tina Mathea, and Guntram Rauhut. Assignment of vibrational states within configuration interaction calculations. J. Chem. Phys., (152)19:194112, 2020. [PUMA: chemie myown rauhut stuttgart theochem] URL

Stefan Drößler. Bilanz und Perspektiven von Open Access an der Universität Stuttgart. Vortrag bei der Tagung "Publish or Perish: Wissenschaftliches Publizieren zwischen Peer Group, Kostenexplosion und Open Access" im Rahmen der International Open Access Week. Universitätsbibliothek Stuttgart, Oct 25, 2017. [PUMA: myown access tagung stuttgart ub open jahresbericht from:droessler izus] URL

Frank Wiatrowski, Klemens Krause, and Katja Stefanie Engstler. Bit-Archäologie: 25 Jahre Computermuseum der Informatik. In Computermuseum der Informatik der Universität Stuttgart [Herausgebendes Organ] (Eds.), Computermuseum der Informatik der Universität Stuttgart, Stuttgart, 2022. [PUMA: Staffelwalze myown Lochkartenlehre Bildband Computermuseum Curta Elektronenröhren Magnetkernspeicher Elektronenrühren Bildschirmanzeige Fotobuch from:wia PET Lochkarte Universität LGP-30 Röhrenprüfgerät Rechenmaschine Staffelwalzenrechenmaschine Nixie-Röhre Oszilloskop Ziffernanzeige PDP-12 Stuttgart Computer Personal Home Nixie-Rähre Commodore]

Frank Wiatrowski, and Klemens Krause. Bit-Archäologie: 25 Jahre Computermuseum der Informatik. In Computermuseum der Informatik der Universität Stuttgart [Herausgebendes Organ] (Eds.), Computermuseum der Informatik der Universität Stuttgart, Stuttgart, 2022. [PUMA: Staffelwalze myown Lochkartenlehre Bildband Computermuseum Curta Magnetkernspeicher Elektronenrühren Bildschirmanzeige Fotobuch from:wia PET Lochkarte Universität LGP-30 Röhrenprüfgerät Rechenmaschine Staffelwalzenrechenmaschine Oszilloskop Ziffernanzeige PDP-12 Stuttgart Computer Personal Home Nixie-Rähre Commodore]

Frank Wiatrowski, Klemens Krause, and Katja Stefanie Engstler. Bit-Archäologie: 25 Jahre Computermuseum der Informatik. In Computermuseum der Informatik der Universität Stuttgart [Herausgebendes Organ] (Eds.), Computermuseum der Informatik der Universität Stuttgart, Stuttgart, 2022. [PUMA: Staffelwalze myown Lochkartenlehre Bildband Computermuseum Curta Elektronenröhren Magnetkernspeicher Bildschirmanzeige Fotobuch PET Lochkarte Universität LGP-30 Röhrenprüfgerät Rechenmaschine Staffelwalzenrechenmaschine Nixie-Röhre Oszilloskop Ziffernanzeige PDP-12 Stuttgart Computer Personal Home Commodore]

Yannick Stöckl, Thomas Fellmeth, Florian Bauer, Bianca Wank, Wolfgang Frey, Birgit Claasen, Anna Zens, Andreas Köhn, and Sabine Laschat. 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 köhn theoretische stuttgart] URL

Yannick Stöckl, Thomas Fellmeth, Florian Bauer, Bianca Wank, Wolfgang Frey, Birgit Claasen, Anna Zens, Andreas Köhn, and Sabine Laschat. 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

Yannick Stöckl, Katrin Gugeler, Celine M. Holzwarth, Wolfgang Frey, Sascha Wegner, Birgit Claasen, Anna Zens, Dietrich Gudat, Christian P. Sindlinger, Johannes Kästner, and Sabine Laschat. Chirality Transfer of Stereogenic Boron Centers Enabled by a S$_N$2-Type Mechanism. Organometallics, (43)3:330-340, 2024. [PUMA: chemie myown kaestner kästner theoretische stuttgart theochem] URL