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0443381 - ÚOCHB 2016 RIV US eng J - Journal Article
Jankowska, M. - Kupka, T. - Stobinski, L. - Kaminský, Jakub
DFT studies on armchair (5,5) SWCNT functionalization. Modification of selected structural and spectroscopic parameters upon two-atom molecule attachment.
Journal of Molecular Graphics & Modelling. Roč. 55, Feb (2015), s. 105-114. ISSN 1093-3263. E-ISSN 1873-4243
R&D Projects: GA ČR GAP208/11/0105
Grant - others:GA AV ČR(CZ) M200551205; GA MŠk(CZ) LM2010005; GA MŠk(CZ) ED3.2.00/08.0144
Institutional support: RVO:61388963
Keywords : single-walled carbon nanotube (SWCNT) * absorption * DFT and GIAO NMR * HOMO/LUMO gap * IR/Raman
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.674, year: 2015
Permanent Link: http://hdl.handle.net/11104/0246121