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A Rather Universal Vibrational Resonance in 1:1 Hydrates of Carbonyl Compounds.
J Phys Chem Lett. 2021 Jan 14;12(1):138-144. doi: 10.1021/acs.jpclett.0c03197. Epub 2020 Dec 14.
J Phys Chem Lett. 2021.
PMID: 33315407
Three-dimensional docking of alcohols to ketones: an experimental benchmark based on acetophenone solvation energy balances.
Zimmermann C, Gottschalk HC, Suhm MA.
Zimmermann C, et al. Among authors: gottschalk hc.
Phys Chem Chem Phys. 2020 Feb 7;22(5):2870-2877. doi: 10.1039/c9cp06128b. Epub 2020 Jan 8.
Phys Chem Chem Phys. 2020.
PMID: 31913366
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Correcting the record: the dimers and trimers of trans-N-methylacetamide.
Forsting T, Gottschalk HC, Hartwig B, Mons M, Suhm MA.
Forsting T, et al. Among authors: gottschalk hc.
Phys Chem Chem Phys. 2017 May 3;19(17):10727-10737. doi: 10.1039/c6cp07989j.
Phys Chem Chem Phys. 2017.
PMID: 28045153
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Tipping the Scales: Spectroscopic Tools for Intermolecular Energy Balances.
Poblotzki A, Gottschalk HC, Suhm MA.
Poblotzki A, et al. Among authors: gottschalk hc.
J Phys Chem Lett. 2017 Nov 16;8(22):5656-5665. doi: 10.1021/acs.jpclett.7b02337. Epub 2017 Nov 8.
J Phys Chem Lett. 2017.
PMID: 29094953
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The phenyl vinyl ether-methanol complex: a model system for quantum chemistry benchmarking.
Bernhard D, Dietrich F, Fatima M, Pérez C, Gottschalk HC, Wuttke A, Mata RA, Suhm MA, Schnell M, Gerhards M.
Bernhard D, et al. Among authors: gottschalk hc.
Beilstein J Org Chem. 2018 Jul 2;14:1642-1654. doi: 10.3762/bjoc.14.140. eCollection 2018.
Beilstein J Org Chem. 2018.
PMID: 30013690
Free PMC article.
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The first microsolvation step for furans: New experiments and benchmarking strategies.
Gottschalk HC, Poblotzki A, Fatima M, Obenchain DA, Pérez C, Antony J, Auer AA, Baptista L, Benoit DM, Bistoni G, Bohle F, Dahmani R, Firaha D, Grimme S, Hansen A, Harding ME, Hochlaf M, Holzer C, Jansen G, Klopper W, Kopp WA, Krasowska M, Kröger LC, Leonhard K, Mogren Al-Mogren M, Mouhib H, Neese F, Pereira MN, Prakash M, Ulusoy IS, Mata RA, Suhm MA, Schnell M.
Gottschalk HC, et al.
J Chem Phys. 2020 Apr 30;152(16):164303. doi: 10.1063/5.0004465.
J Chem Phys. 2020.
PMID: 32357787
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Control over the Hydrogen-Bond Docking Site in Anisole by Ring Methylation.
Gottschalk HC, Altnöder J, Heger M, Suhm MA.
Gottschalk HC, et al.
Angew Chem Int Ed Engl. 2016 Jan 26;55(5):1921-4. doi: 10.1002/anie.201508481. Epub 2015 Dec 23.
Angew Chem Int Ed Engl. 2016.
PMID: 26695475
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The furan microsolvation blind challenge for quantum chemical methods: First steps.
Gottschalk HC, Poblotzki A, Suhm MA, Al-Mogren MM, Antony J, Auer AA, Baptista L, Benoit DM, Bistoni G, Bohle F, Dahmani R, Firaha D, Grimme S, Hansen A, Harding ME, Hochlaf M, Holzer C, Jansen G, Klopper W, Kopp WA, Kröger LC, Leonhard K, Mouhib H, Neese F, Pereira MN, Ulusoy IS, Wuttke A, Mata RA.
Gottschalk HC, et al.
J Chem Phys. 2018 Jan 7;148(1):014301. doi: 10.1063/1.5009011.
J Chem Phys. 2018.
PMID: 29306273
Free article.
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