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Modeling of a Tröger’s tweezer and its complexation properties

SYSNO ASEP	0334402
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Modeling of a Tröger’s tweezer and its complexation properties
Author(s)	Parchaňský, V. (CZ) Matějka, P. (CZ) Dolenský, B. (CZ) Havlík, M. (CZ) Bouř, Petr (UOCHB-X)_{RID, ORCID}
Number of authors	5
Source Title	Journal of Molecular Structure. - : Elsevier - ISSN 0022-2860 Roč. 934, - (2009), s. 117-122
Number of pages	6 s.
Language	eng - English
Country	NL - Netherlands
Keywords	Tröger's bases ; complexes ; dispersion interactions ; ab initio ; density functional theory
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GA202/07/0732 GA ČR - Czech Science Foundation (CSF)
	IAA400550702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000270117300019
DOI	10.1016/j.molstruc.2009.06.030
Annotation	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.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434
Year of Publishing	2010

Number of the records: 1