H-Atom Assignment and Sb-O Bonding of [Mes3SbOH][O3SPh] Confirmed by Neutron Diffraction, Multipole Modeling, and Hirshfeld Atom Refinement.
Sign Up to like & getrecommendations! Published in 2021 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.1c02229
Abstract: Neutron wavelength-resolved Laue diffraction experiments permit accurate refinement of the H-atom positions and anisotropic displacement parameters of [Mes3SbOH][O3SPh]. A multipole-based charge density refinement and a topological analysis of the refined electron density were also performed.… read more here.
Keywords: hirshfeld atom; mes3sboh o3sph; diffraction; refinement ... See more keywords
Multipole Perfectly Matched Layer for Finite-Difference Time-Domain Electromagnetic Modeling
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DOI: 10.1109/tap.2018.2823864
Abstract: A new multipole perfectly matched layer (PML) formulation is presented. Based on the stretched-coordinate approach, the formulation that utilizes a recursive integration concept in its development, introduces a PML stretching function that is created as… read more here.
Keywords: perfectly matched; difference time; multipole perfectly; multipole ... See more keywords