Number of the records: 1
Modeling of a Tröger’s tweezer and its complexation properties
- 1.0334402 - ÚOCHB 2010 RIV NL eng J - Journal Article
Parchaňský, V. - Matějka, P. - Dolenský, B. - Havlík, M. - Bouř, Petr
Modeling of a Tröger’s tweezer and its complexation properties.
Journal of Molecular Structure. Roč. 934, - (2009), s. 117-122. ISSN 0022-2860. E-ISSN 1872-8014
R&D Projects: GA ČR GA202/07/0732; GA AV ČR IAA400550702
Grant - others:GA ČR(CZ) GA203/08/1465
Program: GA
Institutional research plan: CEZ:AV0Z40550506
Keywords : Tröger's bases * complexes * dispersion interactions * ab initio * density functional theory
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.551, year: 2009
The aromatic binding properties of a recently synthesized tweezer based on the Tröger’s base and its complex with nitrobenzene are investigated ab initio, using the DFT and MP2 computations.
Permanent Link: http://hdl.handle.net/11104/0005589
Number of the records: 1