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0557879 - ÚACH 2024 RIV US eng J - Journal Article
Perumalla, D. - Ghorai, S. - Pal, T. - Hnyk, Drahomír - Holub, Josef - Jemmis, E. D.
Rearrangement of dicarboranyl methyl cation to icosahedral C3B9H12+: An ab initio dynamics view.
Journal of Computational Chemistry. Roč. 44, č. 3 (2023), s. 256-260. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA ČR(CZ) GA22-03945S
Institutional support: RVO:61388980
Keywords : molecular-dynamics * carboranes * carborane cation * metadynamics * tropylium rearrangement
OECD category: Inorganic and nuclear chemistry
Impact factor: 3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/jcc.26880
Permanent Link: https://hdl.handle.net/11104/0337479