Universidad de Granada
Facultad de Ciencias



Abstract: (Chemical Abstract 1998, 128:248833)


Calculations on [Ag(NHCHNH)]2 and [Ag(dmtp)(NO3)]2 complexes have performed at RHF, DFT (B3LYP), and MP2 levels. Geometry optimization have been performed on both compounds comparing the result obtained with the different levels of theory and basis set against the available experimental X-Ray data. The existence of M···M interaction at the different levels has been studied on both complexes using the Bader "atoms in molecules" methodology.

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