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Volumn , Issue 47, 2007, Pages 5046-5048

Homoleptic Cu-phosphorus and Cu-ethene complexes

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; ETHYLENE; PHOSPHORUS;

EID: 36649032034     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/b710899k     Document Type: Article
Times cited : (82)

References (36)
  • 22
    • 43849102668 scopus 로고    scopus 로고
    • Ph. D. thesis: A. Reisinger Albert-Ludwig Universität Freiburg, 2007, and paper submitted to
    • Ph. D. thesis: A. Reisinger, Albert-Ludwig Universität Freiburg, 2007, and paper submitted to J. Am. Chem. Soc, 2007
    • (2007) J. Am. Chem. Soc
  • 24
    • 0037134885 scopus 로고    scopus 로고
    • DFT (BP86), Ab initio (MP2) and hybrid (PBE0) computations were done with the program TURBOMOLE Version 6. 5a The geometries of all species were optimized either at the (RI-)BP86/SVP, 5b pbe0/TZVPP 5b or (RI-)MP2/TZVPP 5b levels as implemented in the program. The 28 core electrons of Ag were replaced by a quasi-relativistic effective core potential. Frequency calculations were performed at the same levels of theory and all structures represent true minima without imaginary frequencies on the respective hypersurface: TURBOMOLE Version 6:
    • DFT (BP86), Ab initio (MP2) and hybrid (PBE0) computations were done with the program TURBOMOLE Version 6. 5a The geometries of all species were optimized either at the (RI-)BP86/SVP, 5b pbe0/TZVPP 5b or (RI-)MP2/TZVPP 5b levels as implemented in the program. The 28 core electrons of Ag were replaced by a quasi-relativistic effective core potential. Frequency calculations were performed at the same levels of theory and all structures represent true minima without imaginary frequencies on the respective hypersurface: TURBOMOLE Version 6: A. Adolf M. Gonsior I. Krossing J. Am. Chem. Soc. 2002 124 7111 7116
    • (2002) J. Am. Chem. Soc. , vol.124 , pp. 7111-7116
    • Adolf, A.1    Gonsior, M.2    Krossing, I.3
  • 26
    • 36649010110 scopus 로고    scopus 로고
    • for the corresponding literature for the basis sets see
    • for the corresponding literature for the basis sets see ftp://ftp.chemie.uni-karlsruhe.de/pub/basen
  • 30
    • 36649006366 scopus 로고    scopus 로고
    • -3, CCDC 654310. For crystallographic data in CIF or other electronic format see DOI: 10.1039/b710899k
    • -3, CCDC 654310. For crystallographic data in CIF or other electronic format see DOI: 10.1039/b710899k


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.