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Topological analysis of aromatic halogen/hydrogen bonds by electron charge density and electrostatic potentials

✍ Scribed by Darío J. R. Duarte; Margarita M. de las Vallejos; Nélida M. Peruchena


Publisher
Springer-Verlag
Year
2009
Tongue
English
Weight
450 KB
Volume
16
Category
Article
ISSN
1610-2940

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## Abstract Effective core potential (ECP) and full‐electron (FE) calculations for MoS~4~^−2^, MoO~4~^−2^, and MoOCl~4~ compounds were analyzed. Geometry parameters, binding energies, charge distributions, and topological properties of the electronic density were studied for MoL bonds (L = S, O, C