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Published in 2022 at "Journal of computational chemistry"
DOI: 10.1002/jcc.26870
Abstract: The structural properties of μ2 -bridged porphyrinic double-decker complexes are investigated and the influence of various ligands, metals, substituents, and bridging atoms on the dominant structural motif is elucidated. A variety of quantum chemical methods…
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Keywords:
bridged group;
ground state;
computational study;
properties bridged ... See more keywords
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1
Published in 2019 at "International Journal of Modern Physics E"
DOI: 10.1142/s0218301319500939
Abstract: A systematic study of the ground state properties of transitional nuclei W, Os and Pt is conducted with the help of Skyrme–Hartree–Fock–Bogoliubov theory. Different Skyrme interactions are employed in the study. Two different bases, harmonic…
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Keywords:
study ground;
ground state;
state properties;
systematic study ... See more keywords