Structure, magnetizability, and nuclear
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Inmaculada García Cuesta; Alfredo M. J. Sánchez De Merás; Paolo Lazzeretti
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Article
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2005
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John Wiley and Sons
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English
⚖ 419 KB
## Abstract The geometry of the heteropentalenes formed by two phosphole units has been determined at the DFT level. The magnetic susceptibility and the nuclear magnetic shielding at the nuclei of these systems have also been calculated using gauge‐including atomic orbitals and a large Gaussian bas