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Antipyrine and Its Derivatives with First Row Transition Metals

✍ Scribed by N. T. Madhu; P. K. Radhakrishnan; Matthias Grunert; Peter Weinberger; Wolfgang Linert


Publisher
John Wiley and Sons
Year
2004
Weight
52 KB
Volume
35
Category
Article
ISSN
0931-7597

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Assessment of the OLYP and O3LYP density
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## Abstract We have investigated the performance of the OLYP and O3LYP density functionals for predicting atomic excitation energies and ionization potentials, and bond dissociation energies, geometries, and vibrational frequencies for selected first‐row transition metal compounds, including hydrid