Stefan Grimme

Stefan Grimme (born 4 September 1963), is a German physical chemist. He completed a Ph.D. thesis on photochemistry at Technical University of Braunschweig in 1991, and has been a professor at the Universität Bonn since 2011. Grimme is active in the field of computational chemistry and was elected a member of the Academy of Sciences Leopoldina in 2018. Provided by Wikipedia
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  1. 1
    Calculation of Electron Ionization Mass Spectra with Semiempirical GFNn-xTB Methods

    Calculation of Electron Ionization Mass Spectra with Semiempirical GFNn-xTB Methods by Jeroen Koopman, Stefan Grimme

    Published 2019-09-01
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  2. 2
    Structural and Conformational Studies on Carboxamides of 5,6-Diaminouracils—Precursors of Biologically Active Xanthine Derivatives

    Structural and Conformational Studies on Carboxamides of 5,6-Diaminouracils—Precursors of Biologically Active Xanthine Derivatives by Daniel Marx, Gregor Schnakenburg, Stefan Grimme, Christa E. Müller

    Published 2019-06-01
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  3. 3
    Acylation Reactions of Dibenzo‐7‐phosphanorbornadiene: DFT Mechanistic Insights

    Acylation Reactions of Dibenzo‐7‐phosphanorbornadiene: DFT Mechanistic Insights by Dr. Zheng‐Wang Qu, Dr. Hui Zhu, Prof. Stefan Grimme

    Published 2019-06-01
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  4. 4
    Computational study of the rate constants and free energies of intramolecular radical addition to substituted anilines

    Computational study of the rate constants and free energies of intramolecular radical addition to substituted anilines by Andreas Gansäuer, Meriam Seddiqzai, Tobias Dahmen, Rebecca Sure, Stefan Grimme

    Published 2013-08-01
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  5. 5
    Origin of the Ligand Ring‐Size Effect on the Catalytic Activity of Cationic Calcium Hydride Dimers in the Hydrogenation of Unactivated 1‐Alkenes

    Origin of the Ligand Ring‐Size Effect on the Catalytic Activity of Cationic Calcium Hydride Dimers in the Hydrogenation of Unactivated 1‐Alkenes by Dr. Hui Zhu, Dr. Zheng‐Wang Qu, Prof. Dr. Stefan Grimme

    Published 2022-12-01
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  6. 6
    Substitution effect and effect of axle’s flexibility at (pseudo-)rotaxanes

    Substitution effect and effect of axle’s flexibility at (pseudo-)rotaxanes by Friedrich Malberg, Jan Gerit Brandenburg, Werner Reckien, Oldamur Hollóczki, Stefan Grimme, Barbara Kirchner

    Published 2014-06-01
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  7. 7
    Fluorescent Paracyclophanes: Unveiling Ultra‐Strong Binding with Cucurbit[8]uril in Aqueous Environments

    Fluorescent Paracyclophanes: Unveiling Ultra‐Strong Binding with Cucurbit[8]uril in Aqueous Environments by Laura Marie Grimm, Yichuan Wang, Amrutha Prabodh, Emma Barilli, Sebastian Spicher, Zahid Hassan, Stefan Grimme, Stefan Bräse, Frank Biedermann

    Published 2024-05-01
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  8. 8
    Molecular folding governs switchable singlet oxygen photoproduction in porphyrin-decorated bistable rotaxanes

    Molecular folding governs switchable singlet oxygen photoproduction in porphyrin-decorated bistable rotaxanes by Jan Riebe, Benedikt Bädorf, Sarah Löffelsender, Matias E. Gutierrez Suburu, María Belén Rivas Aiello, Cristian A. Strassert, Stefan Grimme, Jochen Niemeyer

    Published 2024-08-01
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  9. 9
    Acid‐Catalyzed Rearrangements of 3‐Aryloxirane‐2‐Carboxamides: Novel DFT Mechanistic Insights

    Acid‐Catalyzed Rearrangements of 3‐Aryloxirane‐2‐Carboxamides: Novel DFT Mechanistic Insights by Dr. Zheng‐Wang Qu, Dr. Hui Zhu, Prof. Sergey A. Katsyuba, Dr. Vera L. Mamedova, Prof. Vakhid A. Mamedov, Prof. Stefan Grimme

    Published 2020-07-01
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  10. 10
    Nanoscale π-conjugated ladders

    Nanoscale π-conjugated ladders by Stefanie A. Meißner, Theresa Eder, Tristan J. Keller, David A. Hofmeister, Sebastian Spicher, Stefan-S. Jester, Jan Vogelsang, Stefan Grimme, John M. Lupton, Sigurd Höger

    Published 2021-11-01
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  11. 11
    A diuranium carbide cluster stabilized inside a C80 fullerene cage

    A diuranium carbide cluster stabilized inside a C80 fullerene cage by Xingxing Zhang, Wanlu Li, Lai Feng, Xin Chen, Andreas Hansen, Stefan Grimme, Skye Fortier, Dumitru-Claudiu Sergentu, Thomas J. Duignan, Jochen Autschbach, Shuao Wang, Yaofeng Wang, Giorgios Velkos, Alexey A. Popov, Nabi Aghdassi, Steffen Duhm, Xiaohong Li, Jun Li, Luis Echegoyen, W. H. Eugen Schwarz, Ning Chen

    Published 2018-07-01
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