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Volumn , Issue 9, 2007, Pages 927-929

Gallium(I)-alkaline earth metal donor-acceptor bonds

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINE EARTH METAL; GALLIUM;

EID: 33847169429     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/b614165j     Document Type: Article
Times cited : (36)

References (44)
  • 28
    • 33847123087 scopus 로고    scopus 로고
    • 5)Ga] units are disordered
    • 5)Ga] units are disordered
  • 32
    • 4243402296 scopus 로고
    • DFT calculations have been carried out using the functional BP86.
    • O. Treutler R. Ahlrichs J. Chem. Phys. 1995 102 346 354
    • (1995) J. Chem. Phys. , vol.102 , pp. 346-354
    • Treutler, O.1    Ahlrichs, R.2
  • 36
    • 4043083704 scopus 로고
    • We employed the def2-QZVP basis set for Ca (e.g. quadruple zeta valence augmented by polarization functions, e.g. 4d1f) and the def2-TZVP basis sets for all other atoms (triple zeta valence augmented by polarization functions, e.g. 2d1f for C).
    • J. P. Perdew Phys. Rev. B: Condens. Matter Mater. Phys. 1986 34 7406
    • (1986) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.34 , pp. 7406
    • Perdew, J.P.1
  • 38
    • 26244461462 scopus 로고    scopus 로고
    • For DFT and MP2 calculations the resolution of identity technique has been employed, with the auxiliary bases corresponding to the orbital bases.
    • F. Weigend R. Ahlrichs Phys. Chem. Chem. Phys. 2005 7 3297 3305
    • (2005) Phys. Chem. Chem. Phys. , vol.7 , pp. 3297-3305
    • Weigend, F.1    Ahlrichs, R.2
  • 41
    • 33847156105 scopus 로고    scopus 로고
    • 5)Ga]
    • 5)Ga]
  • 42
    • 33847146005 scopus 로고    scopus 로고
    • Basis set superimposition errors are corrected by the counterpoise method
    • Basis set superimposition errors are corrected by the counterpoise method
  • 43
    • 33847097554 scopus 로고    scopus 로고
    • University of Göttingen, Germany
    • G. M. Sheldrick, SHELXS-97, University of Göttingen, Germany, 1997
    • (1997)
  • 44
    • 33847102872 scopus 로고    scopus 로고
    • University of Göttingen
    • G. M. Sheldrick, SHELXL-97, University of Göttingen, 1997
    • (1997)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.