Publications

Subhasish Das, and Guntram Rauhut. Rovibrational calculations without model Hamiltonians: The infrared and microwave spectra of thiopropynal. Int. J. Quant. Chem., (124)9:e27378, 2024. [PUMA: chemie myown rauhut stuttgart theochem theochemsend:unibiblio] URL

Subhasish Das, and Guntram Rauhut. Rovibrational calculations without model Hamiltonians: The infrared and microwave spectra of thiopropynal. Int. J. Quant. Chem., (124)9:e27378, 2024. [PUMA: chemie myown rauhut stuttgart theochemsend:unibiblio theochem] URL

Bifeng Zhu, Minghao Wang, Junjie Jiang, Ningjing Jiang, Jingling Hong, Guntram Rauhut, Guanjun Wang, Weixing Li, and Xiaoqing Zeng. Spectroscopic Identification and Photochemistry of Astrochemically Relevant Phosphorus-bearing Molecules O, C, N, P and 2O, C, N, P. Astrophys. J., (964)2:182, 2024. [PUMA: chemie myown rauhut stuttgart theochem] URL

Bifeng Zhu, Minghao Wang, Junjie Jiang, Ningjing Jiang, Jingling Hong, Guntram Rauhut, Guanjun Wang, Weixing Li, and Xiaoqing Zeng. Spectroscopic Identification and Photochemistry of Astrochemically Relevant Phosphorus-bearing Molecules O, C, N, P and 2O, C, N, P. Astrophys. J., (964)2:182, 2024. [PUMA: chemie myown rauhut stuttgart theochem] URL

Benjamin Schröder, and Guntram Rauhut. From the Automated Calculation of Potential Energy Surfaces to Accurate Infrared Spectra. J. Phys. Chem. Lett., (15)11:3159-3169, 2024. [PUMA: chemie myown rauhut stuttgart theochem theochemsend:unibiblio] 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 kaestner kästner myown stuttgart theochem theoretische] URL

Aaron I. Strom, Ibrahim Muddasser, Guntram Rauhut, and David T. Anderson. Diborane anharmonic vibrational frequencies and Intensities: Experiment and theory. J. Mol. Spectrosc., (400):111887, 2024. [PUMA: chemie myown rauhut stuttgart theochem theochemsend:unibiblio] URL

X Jiang, L N Wang, G Rauhut, X L Li, J L Hong, M F Zhou, and X Q Zeng. Spectroscopic characterization and photochemistry of HC3N- and CH3C3N-: implications for ion chemistry in Titan's atmosphere. Mon. Not. R. Astron. Soc., (527)3:8996-9003, December 2023. [PUMA: chemie myown rauhut stuttgart theochem] URL

Frank Wiatrowski, Toni Bernhart, Katja Stefanie Engstler, Kristin Eichhorn, Torsten Hoffmann, and Nathalie Zoz. Das Stuttgarter Medienarchiv. 2024. [PUMA: bildband fotobuch medienarchiv myown stuttgart universität]

Koushani Kundu, Janis V. Musso, Mathis J. Benedikter, Wolfgang Frey, Katrin Gugeler, Johannes Kästner, and Michael R. Buchmeiser. 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

Xin Shao, Zhuang Wu, Lina Wang, Guntram Rauhut, and Xiaoqing Zeng. Identification and Photochemistry of the Mercaptomethyl Radical. J. Phys. Chem. Lett., (14)46:10450-10456, 2023. [PUMA: chemie myown rauhut stuttgart theochem] URL

Bifeng Zhu, Yanlin Song, Jun Zhu, Guntram Rauhut, Junjie Jiang, and Xiaoqing Zeng. FP(mu-N)2S: A Sulfur-Pnictogen Four-Membered Ring with 6 pi Electrons. Chem. Eur. J., (29)45:e202300251, 2023. [PUMA: chemie myown rauhut stuttgart theochem] URL

John De Vos, Benjamin Schröder, and Guntram Rauhut. Comprehensive quantum chemical analysis of the (ro)vibrational spectrum of thiirane and its deuterated isotopologue. Spectrochim. Acta A, (302):123083, 2023. [PUMA: chemie from:g.rauhut myown rauhut stuttgart theochem] URL

John De Vos, Benjamin Schröder, and Guntram Rauhut. Comprehensive quantum chemical analysis of the (ro)vibrational spectrum of thiirane and its deuterated isotopologue. Spectrochim. Acta A, (302):123083, 2023. [PUMA: chemie myown rauhut stuttgart theochem] URL

John De Vos, Benjamin Schröder, and Guntram Rauhut. Comprehensive quantum chemical analysis of the (ro)vibrational spectrum of thiirane and its deuterated isotopologue. Spectrochim. Acta A, 123083, 2023. [PUMA: chemie myown rauhut from:g.rauhut stuttgart theochem] URL

Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Felix Richard Fischer, Derman Batman, Soeren M. Bauch, Sofia Kolin, Elliot Nicholas, Roland Schoch, Charlotte Vogler, Shravan R. Kousik, Anna Zens, Bernd Plietker, Petia Atanasova, Stefan Naumann, Matthias Bauer, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner, and Sabine Laschat. 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]

Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Felix Richard Fischer, Derman Batman, Soeren M. Bauch, Sofia Kolin, Elliot Nicholas, Roland Schoch, Charlotte Vogler, Shravan R. Kousik, Anna Zens, Bernd Plietker, Petia Atanasova, Stefan Naumann, Matthias Bauer, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner, and Sabine Laschat. 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]

Martin Tschöpe, and Guntram Rauhut. Spectroscopic Characterization of Diazophosphane - A Candidate for Astrophysical Observations. Astrophys. J., (949):1, The American Astronomical Society, 2023. [PUMA: chemie myown rauhut stuttgart theochem] URL

Martin Tschöpe, and Guntram Rauhut. Spectroscopic Characterization of Diazophosphane - A Candidate for Astrophysical Observations. Astrophys. J., (949):1, The American Astronomical Society, 2023. [PUMA: chemie myown rauhut from:g.rauhut stuttgart theochem] URL

Junjie Jiang, Bo Lu, Bifeng Zhu, Xiaolong Li, Guntram Rauhut, and Xiaoqing Zeng. Hydrogen-Bonded pi Complexes between Phosphaethyne and Hydrogen Chloride. J. Phys. Chem. Lett., (14):4327-4333, 2023. [PUMA: chemie myown rauhut stuttgart theochem] URL