Articles with "point group" as a keyword



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Cohomology of uniserial p-adic space groups with cyclic point group

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Published in 2017 at "Journal of Algebra"

DOI: 10.1016/j.jalgebra.2017.08.035

Abstract: Abstract Let p be a fixed prime number and let R denote a uniserial p -adic space group of dimension d x = p x − 1 ( p − 1 ) and with cyclic… read more here.

Keywords: uniserial adic; group; adic space; cyclic point ... See more keywords
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Influence of Number of Ligands and Point Group on the Electronic Structure of Co2+ Aqua-Complexes.

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Published in 2022 at "Inorganic chemistry"

DOI: 10.1021/acs.inorgchem.2c02358

Abstract: The nucleation process of zeolitic imidazolate frameworks (ZIFs) is, to date, not yet completely understood, making the search for tailored materials very difficult. Recently, it has been shown that, during the formation process, the symmetry… read more here.

Keywords: number ligands; point group; aqua; electronic structure ... See more keywords
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Point-group symmetry detection in three-dimensional charge density of biomolecules

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Published in 2020 at "Bioinformatics"

DOI: 10.1093/bioinformatics/btz904

Abstract: MOTIVATION No rigorous statistical tests for detecting point-group symmetry in 3D charge density maps obtained by electron microscopy and related techniques have been developed. RESULTS We propose a method for determining the point-group symmetry of… read more here.

Keywords: charge density; point group; group symmetry; density ... See more keywords
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On the Charge Density Refinement of Odd-Order Multipoles Invariant under Crystal Point Group Symmetry

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Published in 2017 at "Symmetry"

DOI: 10.3390/sym9050063

Abstract: Charge density studies utilise a multipolar expansion of the atomic density (and the associated atomic scattering factor) in order to model asphericity. Contributions of the individual multipoles to the atomic density are then refined as… read more here.

Keywords: order; charge density; density; point group ... See more keywords