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Volumn 62, Issue 2, 2006, Pages 236-244

Experimental charge-density study on the nickel(II) coordination complex [Ni(H3L)][NO3][PF6] [H3L = N,N′,N″-tris(2-hydroxy-3-methylbutyl)-1/4,7-triazacyclononane]: A reappraisal

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SOFTWARE; ERROR ANALYSIS; IONIZATION; PROBABILITY DENSITY FUNCTION; TOPOLOGY;

EID: 33645284141     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768106000802     Document Type: Article
Times cited : (20)

References (61)
  • 16
    • 33645275943 scopus 로고    scopus 로고
    • EMSL (2004). Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, PO Box 999, Richland, Washington 99352, USA, and funded by the US Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by the Battelle Memorial Institute for the US Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
    • (2004) Basis Sets Were Obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04
  • 17
    • 33645294561 scopus 로고
    • Enraf-Nonius, Delft, The Netherlands
    • Enraf-Nonius (1994). CAD-4. Enraf-Nonius, Delft, The Netherlands.
    • (1994) CAD-4
  • 31
    • 33645306519 scopus 로고    scopus 로고
    • The DFT module within GAMESS-UK was developed by Dr P. Young under the auspices of EPSRC's Collaborative Computational Project No. 1 (CCP1, 1995-1997)
    • Guest, M. F., Kendrick, J., van Lenthe, J. H. & Sherwood, P. (2002). GAMESS-UK, Version 6.3. The DFT module within GAMESS-UK was developed by Dr P. Young under the auspices of EPSRC's Collaborative Computational Project No. 1 (CCP1, 1995-1997).
    • (2002) GAMESS-UK, Version 6.3
    • Guest, M.F.1    Kendrick, J.2    Van Lenthe, J.H.3    Sherwood, P.4
  • 46
    • 0032564853 scopus 로고    scopus 로고
    • Macchi, P., Proserpio, D. & Sironi, A. (1998). J. Am. Chem. Soc. 120, 1447-1455. A corrected version of one of the figures has been posted on the Internet at http://dcssi.istm.cnr.it/Macchi/nicod.htm.
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 1447-1455
    • Macchi, P.1    Proserpio, D.2    Sironi, A.3
  • 57
    • 0004150157 scopus 로고
    • University of Göttingen, Germany
    • Sheldrick, G. M. (1993). SHELXS93. University of Göttingen, Germany.
    • (1993) SHELXS93
    • Sheldrick, G.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.