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Computations of 57Fe-NMR chemical shifts with the SOS-DFPT method

  1. TitleComputations of 57Fe-NMR chemical shifts with the SOS-DFPT method
    Author Bühl Michael
    Co-authors Malkina Oľga 1956 SAVANOCH - Ústav anorganickej chémie SAV    ORCID

    Malkin Vladimír 1956 SAVANOCH - Ústav anorganickej chémie SAV    ORCID

    Source document Helvetica Chimica Acta. Vol. 79, no. 3 (1996), p. 742-754
    Languageeng - English
    Document kindrozpis článkov z periodík (rbx)
    CitationsARBUZNIKOV, A.V. Hybrid exchange correlation functionals and potentials: Concept elaboration. In JOURNAL OF STRUCTURAL CHEMISTRY. ISSN 0022-4766, DEC 2007, vol. 48, p. S1-S31.
    WRACKMEYER, B. - KLIMKINA, E.V. - MAISEL, H.E. - TOK, O.L. - HERBERHOLD, M. Fe-57 NMR spectroscopy of ferrocenes derived from aminoferrocene and 1,1 '-diaminoferrocene. In MAGNETIC RESONANCE IN CHEMISTRY. ISSN 0749-1581, OCT 2008, vol. 46, Sp. Iss. 1, p. S30-S35.
    ARBUZNIKOV, A.V. - KAUPP, M. On the self-consistent implementation of general occupied-orbital dependent exchange-correlation functionals with application to the B05 functional. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, AUG 28 2009, vol. 131, no. 8.
    KAUPP, M. - ARBUZNIKOV, A. - BAHMANN, H. On Occupied-orbital Dependent Exchange-correlation Functionals: From Local Hybrids to Becke's B05 Model. In ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS. ISSN 0942-9352, 2010, vol. 224, no. 3-4, SI, p. 545-567.
    CategoryADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted)
    Category of document (from 2022)V3 - Vedecký výstup publikačnej činnosti z časopisu
    Type of documentčlánok
    Year2000
    Registered inWOS
    Registered inSCOPUS
    article

    article

    rokCCIFIF Q (best)JCR Av Jour IF PercSJRSJR Q (best)CiteScore
    A
    rok vydaniarok metrikyIFIF Q (best)SJRSJR Q (best)
    1996
Number of the records: 1  

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