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  • publication . Article . 2017
    Open Access English
    Authors:
    Jeanet Conradie; Abhik Ghosh;
    Persistent Identifiers
    Publisher: American Chemical Society
    Project: EC | PROMOTE (231086), EC | EPOS (262229)

    Source at http://doi.org/10.1021/acsomega.7b01004 . Presented herein is a first major density functional theory (BP86/D3/STO-TZ2P) survey of the energetics of saddling versus ruffling for a wide range of dodecasubstituted metalloporphyrins with M = Ni, Cu, Zn, Pd, and ...

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1 research outcomes, page 1 of 1