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5 research outcomes, page 1 of 1
  • publication . Article . 2017
    Open Access
    Authors:
    Jeanet Conradie; Abhik Ghosh;
    Persistent Identifiers
    Publisher: American Chemical Society (ACS)
    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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  • publication . Article . 2020
    Open Access
    Authors:
    Beata Orlecka-Sikora; Stanislaw Lasocki; Joanna Kocot; Tomasz Szepieniec; Jean Robert Grasso; Alexander Garcia-Aristizabal; Marc Schaming; Pawel Urban; G.M. Jones; I. G. Stimpson; ...
    Project: EC | EPOS IP (676564), EC | SERA (730900)

    AbstractMining, water-reservoir impoundment, underground gas storage, geothermal energy exploitation and hydrocarbon extraction have the potential to cause rock deformation and earthquakes, which may be hazardous for people, infrastructure and the environment. Restricte...

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  • publication . Article . 2018
    Open Access English
    Authors:
    Demissie, Taye Beyene; Conradie, Jeanet; Vazquez-Lima, Hugo; Ruud, Kenneth; Ghosh, Abhik;
    Persistent Identifiers
    Publisher: American Chemical Society
    Project: EC | EPOS (262229)

    The following article: Demissie, T.B., Conradie, J., Vazquez-Lima, H., Ruud, K. & Ghosh, A. (2018). Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO}7 Complexes. ACS Omega, 3(9), 10513-10516 can be acc...

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  • publication . Article . 2018
    Open Access English
    Authors:
    Kolle E. Thomas; Laura J. McCormick; Daniel Carrié; Hugo Vazquez-Lima; Gérard Simonneaux; Abhik Ghosh;
    Persistent Identifiers
    Publisher: HAL CCSD
    Project: EC | EPOS (262229), EC | PROMOTE (231086)

    © 2018 American Chemical Society. Halterman corroles have been synthesized for the first time from pyrrole and Halterman's aldehyde via Gryko's "water-methanol method". These were derivatized to the corresponding copper complexes and subsequently to the β-octabromo comp...

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  • publication . Article . 2018
    Open Access
    Authors:
    Ivar K. Thomassen; Laura J. McCormick; Abhik Ghosh;
    Persistent Identifiers
    Publisher: American Chemical Society (ACS)
    Project: EC | EPOS (262229), EC | PROMOTE (231086)

    Source at https://doi.org/10.1021/acsomega.8b00616. Although rather delicate on account of their propensity to undergo deiodination, β-octaiodoporphyrinoids are of considerable interest as potential precursors to novel β-octasubstituted macrocycles. Presented herein ar...

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5 research outcomes, page 1 of 1