Year |
Citation |
Score |
2022 |
Zheng Y, Yang Q, Herbers S, Cheng W, Jiang Z, Wang H, Xu X, Bloino J, Gou Q. Modulation of π character upon complexation captured by molecular rotation spectra. Physical Chemistry Chemical Physics : Pccp. PMID 35452070 DOI: 10.1039/d2cp01321e |
0.349 |
|
2021 |
McNaughton D, Wachsmuth D, Kraus P, Herbers S, Wang J, Grabow JU. Determination of the "Privileged Structure" of 8-Hydroxyquinoline. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34132015 DOI: 10.1002/cphc.202100384 |
0.814 |
|
2021 |
Wang H, Wang J, Chen J, Herbers S, Zheng H, Gou Q. Competitive and cooperative n →π* and n →σ* interactions in benzaldehyde-formaldehyde: rotational characterization. Physical Chemistry Chemical Physics : Pccp. 23: 8778-8783. PMID 33876036 DOI: 10.1039/d0cp06409b |
0.431 |
|
2021 |
Zheng Y, Herbers S, Gou Q, Caminati W, Grabow JU. Chlorine "Equatorial Belt" Activation of CFCl by CO: The C···Cl Tetrel Bond Dominance in CFCl-CO. The Journal of Physical Chemistry Letters. 3907-3913. PMID 33861087 DOI: 10.1021/acs.jpclett.1c00837 |
0.546 |
|
2020 |
Cheng W, Zheng Y, Herbers S, Zheng H, Gou Q. Conformational Equilibria of 2-Methoxypyridine⋅⋅⋅CO : Cooperative and Competitive Tetrel and Weak Hydrogen Bonds. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 33315294 DOI: 10.1002/cphc.202000910 |
0.34 |
|
2020 |
Li X, Lu T, Obenchain DA, Zhang J, Herbers S, Grabow JU, Feng G. The Characteristics of Disulfide-Centered Hydrogen Bonds. Angewandte Chemie (International Ed. in English). PMID 33258264 DOI: 10.1002/anie.202014364 |
0.716 |
|
2020 |
Nair KPR, Herbers S, Bailey WC, Obenchain DA, Lesarri A, Grabow JU, Nguyen HVL. Internal rotation and chlorine nuclear quadrupole coupling in 2-chloro-4-fluorotoluene explored by microwave spectroscopy and quantum chemistry. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 247: 119120. PMID 33189979 DOI: 10.1016/j.saa.2020.119120 |
0.785 |
|
2020 |
Nair KPR, Herbers S, Nguyen HVL, Grabow JU. The structure and low-barrier methyl torsion of 3-fluorotoluene. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 242: 118709. PMID 32736224 DOI: 10.1016/J.Saa.2020.118709 |
0.698 |
|
2020 |
Melli A, Potenti S, Melosso M, Herbers S, Spada L, Gualandi A, Lengsfeld KG, Dore L, Buschmann P, Cozzi PG, Grabow JU, Barone V, Puzzarini C. A journey from thermally-tunable synthesis to spectroscopy of phenylmethanimine in gas-phase and solution. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32717136 DOI: 10.1002/Chem.202003270 |
0.544 |
|
2020 |
Herbers S, Buschmann P, Wang J, Lengsfeld KG, Nair KPR, Grabow JU. Reactivity and rotational spectra: the old concept of substitution effects. Physical Chemistry Chemical Physics : Pccp. PMID 32391831 DOI: 10.1039/D0Cp01145B |
0.665 |
|
2020 |
Kraus P, Obenchain DA, Herbers S, Wachsmuth D, Frank I, Grabow JU. XeOCS: relatively straightforward? Physical Chemistry Chemical Physics : Pccp. PMID 32101224 DOI: 10.1039/D0Cp00334D |
0.743 |
|
2020 |
Herbers S, Fritz SM, Mishra P, Nguyen HVL, Zwier TS. Local and global approaches to treat the torsional barriers of 4-methylacetophenone using microwave spectroscopy. The Journal of Chemical Physics. 152: 074301. PMID 32087663 DOI: 10.1063/1.5142401 |
0.41 |
|
2020 |
Herbers S, Fritz SM, Mishra P, Kim Y, Slipchenko L, Zwier TS. The unusual symmetry of hexafluoro-o-xylene-A microwave spectroscopy and computational study. The Journal of Chemical Physics. 152: 064302. PMID 32061218 DOI: 10.1063/1.5142169 |
0.421 |
|
2020 |
Lengsfeld KG, Buschmann P, Kats P, Siekmann D, Herbers S, Adam Obenchain D, Genuit S, Höhne CM, Grabow J. Barrier to internal rotation, symmetry and carbonyl reactivity in methyl 3,3,3-trifluoropyruvate Zeitschrift FüR Physikalische Chemie. 234: 1383-1393. DOI: 10.1515/Zpch-2020-0008 |
0.612 |
|
2020 |
Nair KR, Herbers S, Obenchain DA, Grabow J. Internal methyl rotation and molecular structure of trifluorotoluenes: microwave rotational spectra of 2,3,4- and 2,4,5-trifluorotoluene Canadian Journal of Physics. 98: 543-550. DOI: 10.1139/Cjp-2019-0477 |
0.815 |
|
2020 |
Wang J, Herbers S, Buschmann P, Lengsfeld K, Grabow J, Feng G, Gou Q. Rotational spectra and molecular structures of ethylanilines Chinese Journal of Chemical Physics. 33: 119-124. DOI: 10.1063/1674-0068/Cjcp1912215 |
0.702 |
|
2020 |
Buschmann P, Lengsfeld KG, Herbers S, Genuit S, Höhne CM, Grabow J. Probing resonance effects in aromatic systems by nuclear quadrupole Coupling: Investigations of 3- and 4-chlorophenol by rotational spectroscopy Journal of Molecular Structure. 1217: 128224. DOI: 10.1016/J.Molstruc.2020.128224 |
0.673 |
|
2020 |
Buschmann P, Lengsfeld KG, Aydt K, Jahn MK, Herbers S, Travers MJ, Nguyen HVL, Grabow J. Proton Inversion Tunneling in the Rotational Spectrum of Acetone Cyanohydrin Journal of Molecular Spectroscopy. 111372. DOI: 10.1016/J.Jms.2020.111372 |
0.691 |
|
2020 |
Nair KPR, Herbers S, Lesarri A, Grabow J. Corrigendum to "Molecular systems with nearly-free internal rotation and nuclear quadrupole coupling: Meta-chlorotoluene" [J. Mol. Spectrosc. 361 (2019) 1-7] Journal of Molecular Spectroscopy. 371: 111302. DOI: 10.1016/J.Jms.2020.111302 |
0.61 |
|
2019 |
Herbers S, Kraus P, Grabow JU. Accurate equilibrium structures of methyl methacrylate and methacrylic acid by microwave spectroscopy and dispersion corrected calculations. The Journal of Chemical Physics. 150: 144308. PMID 30981226 DOI: 10.1063/1.5091693 |
0.556 |
|
2019 |
Gao S, Obenchain DA, Lei J, Feng G, Herbers S, Gou Q, Grabow JU. Tetrel bonds and conformational equilibria in the formamide-CO complex: a rotational study. Physical Chemistry Chemical Physics : Pccp. PMID 30869703 DOI: 10.1039/C9Cp00055K |
0.769 |
|
2019 |
Nair KR, Herbers S, Dewald DA, Wachsmuth D, Grabow J. Supersonic jet microwave rotational spectrum of 2,3-difluorophenol Journal of Molecular Structure. 1195: 479-484. DOI: 10.1016/J.Molstruc.2019.06.004 |
0.793 |
|
2019 |
Nair KR, Herbers S, Lesarri A, Grabow J. Molecular systems with nearly-free internal rotation and nuclear quadrupole coupling: Meta-chlorotoluene Journal of Molecular Spectroscopy. 361: 1-7. DOI: 10.1016/J.Jms.2019.05.003 |
0.684 |
|
2019 |
Nair KR, Herbers S, Grabow J. Structure and methyl torsion of halogenated toluenes: Rotational spectrum of 3,4-difluorotoluene Journal of Molecular Spectroscopy. 355: 19-25. DOI: 10.1016/J.Jms.2018.11.007 |
0.732 |
|
2018 |
Herbers S, Obenchain DA, Kraus P, Wachsmuth D, Grabow JU. Blurring out hydrogen: The dynamical structure of teflic acid. The Journal of Chemical Physics. 148: 194307. PMID 30307200 DOI: 10.1063/1.5027487 |
0.793 |
|
2018 |
Obenchain DA, Spada L, Alessandrini S, Rampino S, Herbers S, Tasinato N, Mendolicchio M, Kraus P, Gauss J, Puzzarini C, Grabow JU, Barone V. On the way to the Sulfur-Sulfur bridge: accurate structural and energetic charac-terization of a homo chalcogen inter-molecular bond. Angewandte Chemie (International Ed. in English). PMID 30303600 DOI: 10.1002/Anie.201810637 |
0.796 |
|
2018 |
Herbers S, Obenchain DA, Lengsfeld KG, Kuper H, Becker JA, Grabow J. Thermal self polymerization investigated by microwave molecular spectroscopy – Rotational characterization of the methyl methacrylate dimer Journal of Molecular Spectroscopy. 351: 49-54. DOI: 10.1016/J.Jms.2018.07.007 |
0.781 |
|
2018 |
Herbers S, Wachsmuth D, Jahn MK, Grabow J. Transient chirality of anilides - The rotational spectrum of trans-benzanilide Journal of Molecular Spectroscopy. 351: 8-13. DOI: 10.1016/J.Jms.2018.07.003 |
0.766 |
|
2018 |
Nair K, Herbers S, Grabow J, Lesarri A. Internal rotation in halogenated toluenes: Rotational spectrum of 2,3-difluorotoluene Journal of Molecular Spectroscopy. 349: 37-42. DOI: 10.1016/J.Jms.2018.04.007 |
0.738 |
|
2018 |
Herbers S, Wachsmuth D, Obenchain DA, Grabow J. Rotational characterization of methyl methacrylate: Internal dynamics and structure determination Journal of Molecular Spectroscopy. 343: 96-101. DOI: 10.1016/J.Jms.2017.10.006 |
0.799 |
|
2018 |
Nair KR, Herbers S, Obenchain DA, Grabow J, Lesarri A. The low internal rotation barriers of halogenated toluenes: Rotational spectrum of 2,4-difluorotoluene Journal of Molecular Spectroscopy. 344: 21-26. DOI: 10.1016/J.Jms.2017.10.003 |
0.813 |
|
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