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Volumn 64, Issue 4, 2009, Pages 388-394

The Smallest "Aurophilie Species"

Author keywords

Au(I) Au(I) interaction; Gold hydride; Metallophilic interaction; Quantum chemical calculation

Indexed keywords

CALCULATIONS; MOLECULAR VIBRATIONS; QUANTUM CHEMISTRY;

EID: 64749085018     PISSN: 09320776     EISSN: None     Source Type: Journal    
DOI: 10.1515/znb-2009-0405     Document Type: Article
Times cited : (7)

References (56)
  • 26
    • 64749115890 scopus 로고    scopus 로고
    • UKS-DFT(PBE0)/def2-TZVPP(ECP) with the integration grid m4.
    • UKS-DFT(PBE0)/def2-TZVPP(ECP) with the integration grid m4.
  • 27
    • 64749112187 scopus 로고    scopus 로고
    • RI-(cp)LCCSD(T0)/SARC-QZVPP/DKH3 for the geometry and RI-LCCSD(T0)/def2-QZVPP/ECP for all vibrational properties.
    • RI-(cp)LCCSD(T0)/SARC-QZVPP/DKH3 for the geometry and RI-LCCSD(T0)/def2-QZVPP/ECP for all vibrational properties.
  • 30
    • 0003998388 scopus 로고    scopus 로고
    • Ed, D. R. Lide, 80th ed, Taylor & Francis, CRC Press
    • Handbook of Chemistry and Physics, (Ed.: D. R. Lide), 80th ed., Taylor & Francis, CRC Press 2002.
    • (2002) Handbook of Chemistry and Physics
  • 31
    • 37049086367 scopus 로고
    • A comparable bonding situation in the [AuPH3] 2+4 di-cation is described in
    • 4 di-cation is described in: P. Pyykkö, N. Runeberg, Chem. Comm. 1993, 1812.
    • (1993) Chem. Comm , pp. 1812
    • Pyykkö, P.1    Runeberg, N.2
  • 32
    • 64749084532 scopus 로고    scopus 로고
    • MOLPRO, version 2008.1, a package of ab initio programs, H.-J. Werner, P.J. Knowles, R. Lindh, F.R. Manby, M. Schütz, P. Celani, T. Korona, A. Mitrushenkov, G. Rauhut, T.B. Adler, R.D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A.J. Dobbyn, F. Eckert, E. Goll, C. Hampel, G. Hetzer, T. Hrenar, G. Knizia, C. Köppl, Y. Liu, A.W. Lloyd, R. A. Mata, A.J. May, S.J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, K. Pflüger, R. Pitzer, M. Reiher, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang, A. Wolf, see
    • MOLPRO, version 2008.1, a package of ab initio programs, H.-J. Werner, P.J. Knowles, R. Lindh, F.R. Manby, M. Schütz, P. Celani, T. Korona, A. Mitrushenkov, G. Rauhut, T.B. Adler, R.D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A.J. Dobbyn, F. Eckert, E. Goll, C. Hampel, G. Hetzer, T. Hrenar, G. Knizia, C. Köppl, Y. Liu, A.W. Lloyd, R. A. Mata, A.J. May, S.J. McNicholas, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, K. Pflüger, R. Pitzer, M. Reiher, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang, A. Wolf, see http://www.molpro. net.
  • 37
    • 64749107845 scopus 로고    scopus 로고
    • The number of contractions for SARC is 104 TZVP, and, respectively
    • The number of contractions for SARC is 104 (TZVP), 111 (TZVPP) and 120 (QZVPP) while for def2 it is 40, 56 and 88, respectively.
    • 111 (TZVPP) and 120 (QZVPP) while for def2 it is , vol.40 , pp. 56-88
  • 38
    • 85088689812 scopus 로고    scopus 로고
    • +.
    • +.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.