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Density Functional Study of Ammonia Activation by Late First-Row Transition Metal Cations

โœ Scribed by Michelini, Maria del Carmen; Russo, Nino; Sicilia, Emilia

Book ID
120394599
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
242 KB
Volume
43
Category
Article
ISSN
0020-1669

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A parallel study by different conventional and hybrid density functional methods has been performed for the whole series of binary cationic hydrides of first row transition metals. The results show that hybrid methods represent a significant improvement over standard density functionals, reaching an