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Metadynamics for Automatic Sampling of Quantum Property Manifolds: Exploration of Molecular Biradicality Landscapes

J. Lindner, и M. Röhr. Phys. Chem. Chem. Phys., (2019)
DOI: 10.1039/C9CP05182A

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Joachim Lindner

Другие публикации лиц с тем же именем

Folding and fluorescence enhancement with strong odd–even effect for a series of merocyanine dye oligomersX. Hu, A. Schulz, J. Lindner, M. Grüne, D. Bialas, и F. Würthner. Chem. Sci., 12 (24): 8342-8352 (2021)Efficient Electrochemical Water Oxidation by a Trinuclear Ru(bda) Macrocycle Immobilized on Multi-Walled Carbon Nanotube ElectrodesD. Schindler, M. Gil-Sepulcre, J. Lindner, V. Stepanenko, D. Moonshiram, A. Llobet, и F. Würthner. Adv. Energy Mater., 10 (43): 2002329 (октября 2020)Multistate metadynamics for automatic exploration of conical intersectionsJ. Lindner, M. Röhr, и R. Mitricć\fi. Phys. Rev. A, 97 (5): 052502 (мая 2018)Metadynamics for Automatic Sampling of Quantum Property Manifolds: Exploration of Molecular Biradicality LandscapesJ. Lindner, и M. Röhr. Phys. Chem. Chem. Phys., (2019)Consecutive Charging of a Perylene Bisimide Dye by Multistep Low-Energy Solar-Light-Induced Electron Transfer Towards H 2 EvolutionY. Xu, J. Zheng, J. Lindner, X. Wen, N. Jiang, Z. Hu, L. Liu, F. Huang, F. Würthner, и Z. Xie. Angew. Chem. Int. Ed., 59 (26): 10363--10367 (апреля 2020)metaFALCON: A Program Package for Automatic Sampling of Conical Intersection Seams Using Multistate MetadynamicsJ. Lindner, K. Sultangaleeva, M. Röhr, и R. Mitrić. Journal of Chemical Theory and Computation, 15 (6): 3450--3460 (апреля 2019)Cooperative water oxidation catalysis in a series of trinuclear metallosupramolecular ruthenium macrocyclesV. Kunz, J. Lindner, M. Schulze, M. Röhr, D. Schmidt, R. Mitrić, и F. Würthner. Energy Environ. Sci., 10 (10): 2137-2153 (2017)1,1′-Bi(2-naphthol-4,5-dicarboximide)s: blue emissive axially chiral scaffolds with aggregation-enhanced emission propertiesM. Chen, Y. Zhang, M. Vysotsky, J. Lindner, M. Li, M. Lin, и F. Würthner. Org. Chem. Front., 6 (22): 3731-3740 (октября 2019)Surface-Promoted Evolution of Ru-bda Coordination Oligomers Boosts the Efficiency of Water Oxidation Molecular AnodesM. Gil-Sepulcre, J. Lindner, D. Schindler, L. Velasco, D. Moonshiram, O. Rüdiger, S. DeBeer, V. Stepanenko, E. Solano, F. Würthner и 1 other автор(ы). J. Am. Chem. Soc., 143 (30): 11651--11661 (июля 2021)Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidationA. Meza-Chincha, J. Lindner, D. Schindler, D. Schmidt, A. Krause, M. Röhr, R. Mitrić, и F. Würthner. Chem. Sci., 11 (29): 7654-7664 (2020)

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Joachim Lindner

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Joachim Lindner

Joachim Lindner

Joachim Lindner

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