Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition-Metal Complexes with Large Tensor Anisotropies and Higher-Order Spin-Orbit Effects.
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| Description | scientific article published on 4 December 2015 |
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author: Michal Repisky Kenneth Ruud Peter Hrobárik Martin Kaupp Stanislav Komorovsky |
| Publication date | December 16, 2015 |
| Language | English |
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