Herbers S - Search Results

1

Determination of the "Privileged Structure" of 8-Hydroxyquinoline.

McNaughton D, Wachsmuth D, Kraus P, Herbers S, Wang J, Grabow JU. McNaughton D, et al. Among authors: herbers s. Chemphyschem. 2021 Aug 18;22(16):1692-1697. doi: 10.1002/cphc.202100384. Epub 2021 Jul 7. Chemphyschem. 2021. PMID: 34132015

2

Blurring out hydrogen: The dynamical structure of teflic acid.

Herbers S, Obenchain DA, Kraus P, Wachsmuth D, Grabow JU. Herbers S, et al. J Chem Phys. 2018 May 21;148(19):194307. doi: 10.1063/1.5027487. J Chem Phys. 2018. PMID: 30307200

3

Accurate equilibrium structures of methyl methacrylate and methacrylic acid by microwave spectroscopy and dispersion corrected calculations.

Herbers S, Kraus P, Grabow JU. Herbers S, et al. J Chem Phys. 2019 Apr 14;150(14):144308. doi: 10.1063/1.5091693. J Chem Phys. 2019. PMID: 30981226

4

XeOCS: relatively straightforward?

Kraus P, Obenchain DA, Herbers S, Wachsmuth D, Frank I, Grabow JU. Kraus P, et al. Among authors: herbers s. Phys Chem Chem Phys. 2020 Mar 14;22(10):5615-5624. doi: 10.1039/d0cp00334d. Epub 2020 Feb 26. Phys Chem Chem Phys. 2020. PMID: 32101224

5

Reactivity and rotational spectra: the old concept of substitution effects.

Herbers S, Buschmann P, Wang J, Lengsfeld KG, Nair KPR, Grabow JU. Herbers S, et al. Phys Chem Chem Phys. 2020 May 27;22(20):11490-11497. doi: 10.1039/d0cp01145b. Phys Chem Chem Phys. 2020. PMID: 32391831

6

Unveiling the Sulfur-Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond.

Obenchain DA, Spada L, Alessandrini S, Rampino S, Herbers S, Tasinato N, Mendolicchio M, Kraus P, Gauss J, Puzzarini C, Grabow JU, Barone V. Obenchain DA, et al. Among authors: herbers s. Angew Chem Int Ed Engl. 2018 Nov 26;57(48):15822-15826. doi: 10.1002/anie.201810637. Epub 2018 Oct 31. Angew Chem Int Ed Engl. 2018. PMID: 30303600

7

The structure and low-barrier methyl torsion of 3-fluorotoluene.

Nair KPR, Herbers S, Nguyen HVL, Grabow JU. Nair KPR, et al. Among authors: herbers s. Spectrochim Acta A Mol Biomol Spectrosc. 2020 Dec 5;242:118709. doi: 10.1016/j.saa.2020.118709. Epub 2020 Jul 20. Spectrochim Acta A Mol Biomol Spectrosc. 2020. PMID: 32736224

8

Chlorine "Equatorial Belt" Activation of CF₃Cl by CO₂: The C···Cl Tetrel Bond Dominance in CF₃Cl-CO₂.

Zheng Y, Herbers S, Gou Q, Caminati W, Grabow JU. Zheng Y, et al. Among authors: herbers s. J Phys Chem Lett. 2021 Apr 29;12(16):3907-3913. doi: 10.1021/acs.jpclett.1c00837. Epub 2021 Apr 16. J Phys Chem Lett. 2021. PMID: 33861087

9

Tetrel bonds and conformational equilibria in the formamide-CO₂ complex: a rotational study.

Gao S , Obenchain DA , Lei J , Feng G , Herbers S , Gou Q , Grabow JU . Gao S , et al. Among authors: herbers s. Phys Chem Chem Phys. 2019 Mar 27;21(13):7016-7020. doi: 10.1039/c9cp00055k. Phys Chem Chem Phys. 2019. PMID: 30869703

10

Internal rotation and chlorine nuclear quadrupole coupling in 2-chloro-4-fluorotoluene explored by microwave spectroscopy and quantum chemistry.

Nair KPR, Herbers S, Bailey WC, Obenchain DA, Lesarri A, Grabow JU, Nguyen HVL. Nair KPR, et al. Among authors: herbers s. Spectrochim Acta A Mol Biomol Spectrosc. 2021 Feb 15;247:119120. doi: 10.1016/j.saa.2020.119120. Epub 2020 Oct 27. Spectrochim Acta A Mol Biomol Spectrosc. 2021. PMID: 33189979

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