Hydrocarbon Macrocycle Conformer Ensembles and 13C‐NMR Spectra von Bohle, Fabian, Grimme, Stefan

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CREST—A program for the exploration of low-energy molecular chemical space von Pracht, Philipp, Grimme, Stefan, Bannwarth, Christoph, Bohle, Fabian, Ehlert, Sebastian, Feldmann, Gereon, Gorges, Johannes, Müller, Marcel, Neudecker, Tim, Plett, Christoph, Spicher, Sebastian, Steinbach, Pit, Wesołowski, Patryk A., Zeller, Felix

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Efficient structural and energetic screening of fullerene encapsulation in a large supramolecular double decker macrocycle von Bohle, Fabian, Grimme, Stefan

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Automated exploration of the low-energy chemical space with fast quantum chemical methods von Pracht, Philipp, Bohle, Fabian, Grimme, Stefan

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Influencing the Self‐Sorting Behavior of [2.2]Paracyclophane‐Based Ligands by Introducing Isostructural Binding Motifs von Volbach, Lucia, Struch, Niklas, Bohle, Fabian, Topić, Filip, Schnakenburg, Gregor, Schneider, Andreas, Rissanen, Kari, Grimme, Stefan, Lützen, Arne

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The furan microsolvation blind challenge for quantum chemical methods: First steps von Gottschalk, Hannes C., Poblotzki, Anja, Suhm, Martin A., Al-Mogren, Muneerah M., Antony, Jens, Auer, Alexander A., Baptista, Leonardo, Benoit, David M., Bistoni, Giovanni, Bohle, Fabian, Dahmani, Rahma, Firaha, Dzmitry, Grimme, Stefan, Hansen, Andreas, Harding, Michael E., Hochlaf, Majdi, Holzer, Christof, Jansen, Georg, Klopper, Wim, Kopp, Wassja A., Kröger, Leif C., Leonhard, Kai, Mouhib, Halima, Neese, Frank, Pereira, Max N., Ulusoy, Inga S., Wuttke, Axel, Mata, Ricardo A.

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Donor-acceptor interactions between cyclic trinuclear pyridinate gold(i)-complexes and electron-poor guests: nature and energetics of guest-binding and templating on graphite von Hahn, Raiko, Bohle, Fabian, Kotte, Stefan, Keller, Tristan J, Jester, Stefan-S, Hansen, Andreas, Grimme, Stefan, Esser, Birgit

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Hydrocarbon Macrocycle Conformer Ensembles and 13 C-NMR Spectra von Bohle, Fabian, Grimme, Stefan

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Automated Quantum Chemistry-Based Calculation of Optical Rotation for Large Flexible Molecules von Bohle, Fabian, Seibert, Jakob, Grimme, Stefan

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Efficient Quantum Chemical Calculation of Structure Ensembles and Free Energies for Nonrigid Molecules von Grimme, Stefan, Bohle, Fabian, Hansen, Andreas, Pracht, Philipp, Spicher, Sebastian, Stahn, Marcel

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Benchmark Study of Electrochemical Redox Potentials Calculated with Semiempirical and DFT Methods von Neugebauer, Hagen, Bohle, Fabian, Bursch, Markus, Hansen, Andreas, Grimme, Stefan

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Hydrocarbon Macrocycle Conformer Ensembles and 13C‐NMR Spectra von Bohle, Fabian, Grimme, Stefan

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Hydrocarbon Macrocycle Conformer Ensembles and 13 C‐NMR Spectra von Bohle, Fabian, Grimme, Stefan

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Raising the Bar in Aromatic Donor–Acceptor Interactions with Cyclic Trinuclear Gold(I) Complexes as Strong π‑Donors von Hahn, Raiko, Bohle, Fabian, Fang, Wenwen, Walther, Andreas, Grimme, Stefan, Esser, Birgit

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Oxidation Under Reductive Conditions: From Benzylic Ethers to Acetals with Perfect Atom‐Economy by Titanocene(III) Catalysis von Funk, Pierre, Richrath, Ruben B., Bohle, Fabian, Grimme, Stefan, Gansäuer, Andreas

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Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution von Katsyuba, Sergey A., Gerasimova, Tatiana P., Spicher, Sebastian, Bohle, Fabian, Grimme, Stefan

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The Chiral Trimer and a Metastable Chiral Dimer of Achiral Hexafluoroisopropanol: A Multi‐Messenger Study von Oswald, Sönke, Seifert, Nathan A., Bohle, Fabian, Gawrilow, Maxim, Grimme, Stefan, Jäger, Wolfgang, Xu, Yunjie, Suhm, Martin A.

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Computer-aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl 4 solution von Katsyuba, Sergey A, Gerasimova, Tatiana P, Spicher, Sebastian, Bohle, Fabian, Grimme, Stefan

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Synthesis of 1,3‐Amino Alcohols by Hydroxy‐Directed Aziridination and Aziridine Hydrosilylation von Zhang, Yong‐Qiang, Bohle, Fabian, Bleith, Robin, Schnakenburg, Gregor, Grimme, Stefan, Gansäuer, Andreas

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SN2 Reactions at Tertiary Carbon Centers in Epoxides von Zhang, Yong‐Qiang, Poppel, Christina, Panfilova, Anastasia, Bohle, Fabian, Grimme, Stefan, Gansäuer, Andreas

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