. "5/6" . "Stach\u00F3w, M." . . "In this study, we outlined a pragmatic approach for structural studies leading to better understanding of polycarbon structures using Ne-21 as a nuclear magnetic resonance (NMR) probe. Ne-21 NMR parameters of a single neon atom and its dimer were predicted at the CCSD(T) level in combination with large basis sets. At a lower level of theory, an interaction of neon atom with 1,3-cyclopentadiene ring and with five- and six-membered rings in carbazole was studied using the restricted Hartree-Fock (RHF) and density functional theory (DFT) combined with smaller basis sets. The RHF and DFT modelling of neon interaction with nanosized objects were performed on cyclacenes and selected fullerenes."@en . . "Molecular Physics" . "DFT; Ne-21 NMR; dispersion interactions; carbazole; cyclacenes; fullerenes"@en . "Kupka, T." . "[23CC91259654]" . . . . . "From small to medium and beyond: a pragmatic approach in predicting properties of Ne containing structures" . . . "112" . . "17578" . . "From small to medium and beyond: a pragmatic approach in predicting properties of Ne containing structures"@en . "RIV/61388963:_____/14:00428633" . "10.1080/00268976.2013.848301" . "From small to medium and beyond: a pragmatic approach in predicting properties of Ne containing structures" . "Radula-Janik, K." . "0026-8976" . "9"^^ . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . . "Kaminsk\u00FD, Jakub" . . "000333941400012" . "6"^^ . "I, P(GAP208/11/0105)" . "Nieradka, M." . . . . . "Stobinski, L." . "From small to medium and beyond: a pragmatic approach in predicting properties of Ne containing structures"@en . "1"^^ . "In this study, we outlined a pragmatic approach for structural studies leading to better understanding of polycarbon structures using Ne-21 as a nuclear magnetic resonance (NMR) probe. Ne-21 NMR parameters of a single neon atom and its dimer were predicted at the CCSD(T) level in combination with large basis sets. At a lower level of theory, an interaction of neon atom with 1,3-cyclopentadiene ring and with five- and six-membered rings in carbazole was studied using the restricted Hartree-Fock (RHF) and density functional theory (DFT) combined with smaller basis sets. The RHF and DFT modelling of neon interaction with nanosized objects were performed on cyclacenes and selected fullerenes." . "RIV/61388963:_____/14:00428633!RIV15-GA0-61388963" . . .