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Am J Health Syst Pharm
November 2024
University of Texas College of Pharmacy, Austin, TX, USA.
Disclaimer: In an effort to expedite the publication of articles, AJHP is posting manuscripts online as soon as possible after acceptance. Accepted manuscripts have been peer-reviewed and copyedited, but are posted online before technical formatting and author proofing. These manuscripts are not the final version of record and will be replaced with the final article (formatted per AJHP style and proofed by the authors) at a later time.
View Article and Find Full Text PDFDalton Trans
November 2024
Department of Chemistry, St Bonaventure University, St Bonaventure, NY 14778, USA.
Density functional theory (DFT) calculations of 57 iron bis(dithiolene)-N-heterocyclic carbene adducts were conducted to determine what parameters predict, and possibly influence, the coordination of these aforementioned adducts. The parameters considered herein include three different types of nuclear magnetic resonance (C-NMR, Se-NMR, and P-NMR) isotropic chemical shifts, the Tolman Electronic Parameter (TEP), the Huynh Electronic Parameter (HEP), and the percent buried volume (%) of the different N-heterocyclic carbenes (NHCs) calculated from DFT. These parameters were selected based upon prior literature connection to σ-donor ability, π-acidity, and steric effects.
View Article and Find Full Text PDFPhys Rev Lett
October 2024
CERN, Geneva, Switzerland.
Cureus
September 2024
Internal Medicine, Centro Hospitalar Universitário do Algarve, Unidade de Portimão, Portimão, PRT.
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