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The effect of water on gold supported chiral graphene nanoribbons: rupture of conjugation by an alternating hydrogenation pattern.
Berdonces-Layunta A, Matěj A, Jiménez-Martín A, Lawrence J, Mohammed MSG, Wang T, Mallada B, de la Torre B, Martínez A, Vilas-Varela M, Nieman R, Lischka H, Nachtigallová D, Peña D, Jelínek P, de Oteyza DG. Berdonces-Layunta A, et al. Among authors: lischka h. Nanoscale. 2024 Jan 3;16(2):734-741. doi: 10.1039/d3nr02933f. Nanoscale. 2024. PMID: 38086686
Foreword to the special issue for Elfi Kraka.
Aquino A, Lischka H, Frenking G. Aquino A, et al. Among authors: lischka h. J Comput Chem. 2024 Mar 28. doi: 10.1002/jcc.27316. Online ahead of print. J Comput Chem. 2024. PMID: 38545736 No abstract available.
Stability and Reactivity of the Phenalene and Olympicene Isomers.
Ferrão LFA, Pontes MAP, Fernandes GFS, Bettanin F, Aquino AJA, Lischka H, Nachtigallova D, Machado FBC. Ferrão LFA, et al. Among authors: lischka h. J Phys Chem A. 2023 Nov 16;127(45):9430-9441. doi: 10.1021/acs.jpca.3c04331. Epub 2023 Nov 3. J Phys Chem A. 2023. PMID: 37920974
A Perspective on Sustainable Computational Chemistry Software Development and Integration.
Di Felice R, Mayes ML, Richard RM, Williams-Young DB, Chan GK, de Jong WA, Govind N, Head-Gordon M, Hermes MR, Kowalski K, Li X, Lischka H, Mueller KT, Mutlu E, Niklasson AMN, Pederson MR, Peng B, Shepard R, Valeev EF, van Schilfgaarde M, Vlaisavljevich B, Windus TL, Xantheas SS, Zhang X, Zimmerman PM. Di Felice R, et al. Among authors: lischka h. J Chem Theory Comput. 2023 Oct 24;19(20):7056-7076. doi: 10.1021/acs.jctc.3c00419. Epub 2023 Sep 28. J Chem Theory Comput. 2023. PMID: 37769271 Free PMC article.
174 results