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0467351 - ÚOCHB 2017 RIV DE eng J - Journal Article
Hostaš, Jiří - Sigwalt, D. - Šekutor, M. - Ajani, Haresh - Dubecký, M. - Řezáč, Jan - Zavalij, P. Y. - Cao, L. - Wohlschlager, Ch. - Mlinaric-Majerski, K. - Isaacs, L. - Glaser, R. - Hobza, Pavel
A Nexus between Theory and Experiment: Non-Empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]urilGuest Binding Interactions.
Chemistry - A European Journal. Roč. 22, č. 48 (2016), s. 17226-17238. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR(CZ) GBP208/12/G016
Institutional support: RVO:61388963
Keywords : adamantane-/diamantane-skeleton guests * biomimetic complexes * BLYP-D3 quantum mechanical calculations * cucurbit[n]uril * host-guest complexes * primary ammonium loops
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.317, year: 2016
Permanent Link: http://hdl.handle.net/11104/0265465