Relativistic Quantum Chemistry Applied to Actinides

Of the many available computational approaches, density functional theory is the most widely used in studying actinide complexes. This is generally because it incorporates electron correlation effects and is computationally inexpensive for modestly sized compounds. The first chapter of this thesis...

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Bibliographic Details
Main Author: Odoh, Samuel
Other Authors: Schreckenbach, Georg (Chemistry)
Published: 2013
Subjects:
Online Access:http://hdl.handle.net/1993/14408