| Literature DB >> 19066991 |
Z Alimohammadi1, H Rahemi, M Golzan, S F Tayyari, M J Riley.
Abstract
The structure, stability, and the IR, and EPR spectroscopic properties of bis(methoxyacetato)diaquo-copper(II) were studied both experimentally using FT-IR and theoretically using B3LYP/6-31G**, B3LYP/6-311G, BWP91/6-31G** methods. The same approaches were used to calculate the harmonic frequencies and to compare them to the experimental solid state values. The g-tensors are calculated using the NMR/GIAO computational method.Entities:
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Year: 2008 PMID： 19066991 DOI： 10.1007/s00894-008-0413-x
Source DB: PubMed Journal: J Mol Model ISSN： 0948-5023 Impact factor: 1.810