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Volumn , Issue 6, 2010, Pages 1111-1123

Di- And trifluorobenzenes in reactions with Me2em (E = P, N; M = SiMe3, SnMe3, Li) reagents: Evidence for a concerted mechanism of aromatic nucleophilic substitution

Author keywords

Ab initio calculations; Aromatic substitution; Bis(phosphane)palladium dichloride complexes; Nucleophilic substitution; Phosphanes; Polyfluoroarenes

Indexed keywords


EID: 76449106093     PISSN: 1434193X     EISSN: 10990690     Source Type: Journal    
DOI: 10.1002/ejoc.200900880     Document Type: Article
Times cited : (26)

References (38)
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    • with application of the basis set def2-TZVP as implemented in TURBOMOLE 6.0
    • The natures of these van der Waals complexes were further investigated by optimizations with Grimme's recently developed B97-D DFT functional (S. Grimme, J. Comp. Chem. 2006, 27, 1787) with application of the basis set def2-TZVP as implemented in TURBOMOLE 6.0
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    • The results obtained are in good agreement with the SCS-MP2 values reported in the text, underlining the excellent suitability of both the SCS-MP2 the and DFT-D approach, for investigations of weakly bound complexes
    • see also: http://wwu.turbomole.com) The results obtained are in good agreement with the SCS-MP2 values reported in the text, underlining the excellent suitability of both the SCS-MP2 the and DFT-D approach, for investigations of weakly bound complexes.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.