The inhomogeneous electron liquid in some bioinorganic assemblies studied by density functional methods
Author:
Publisher
Informa UK Limited
Subject
Materials Chemistry,Physical and Theoretical Chemistry,Condensed Matter Physics,Electronic, Optical and Magnetic Materials
Link
http://www.tandfonline.com/doi/pdf/10.1080/00319104.2010.509704
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1. Use of ab initio methods to classify four existing energy density functionals according to their possible variational validity
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4. Geometry and ground-state electronic structure of neutral ruthenium metal complexes of potential relevance to metal-based drugs for cancer control
5. Quantum-chemical study of the potential anti-cancer drug Ru–NAMI-A in complex with estrogen and the simulated VA and VCD spectra of estrogen, the Ru–NAMI-A drug, and possible/proposed estrogen–Ru–NAMI-A complexes
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