Roman Reviakine
University of Würzburg(DE)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Electron Spin Resonance Studies, Magnetism in coordination complexes, Advanced NMR Techniques and Applications, Photosynthetic Processes and Mechanisms
Most-Cited Works
- → Calculation of electronic g‐tensors for transition metal complexes using hybrid density functionals and atomic meanfield spin‐orbit operators(2002)182 cited
- → Analysis of Aromatic Delocalization: Individual Molecular Orbital Contributions to Nucleus-Independent Chemical Shifts(2003)159 cited
- → Density functional calculations of NMR shielding tensors for paramagnetic systems with arbitrary spin multiplicity: Validation on 3d metallocenes(2007)112 cited
- → Calculation of zero-field splitting parameters: Comparison of a two-component noncolinear spin-density-functional method and a one-component perturbational approach(2006)73 cited
- → Validation study of meta-GGA functionals and of a model exchange–correlation potential in density functional calculations of EPR parameters(2002)72 cited
- → Spin−Orbit Effects on Hyperfine Coupling Tensors in Transition Metal Complexes Using Hybrid Density Functionals and Accurate Spin−Orbit Operators(2004)69 cited
- → Density Functional Study of EPR Parameters and Spin-Density Distribution of Azurin and Other Blue Copper Proteins(2007)69 cited
- → Solvent effects on g-tensors of semiquinone radical anions: polarizable continuum versus cluster models(2004)41 cited
- → g Tensor and Spin Density of the Modified Tyrosyl Radical in Galactose Oxidase: A Density Functional Study(2002)36 cited
- → Understanding the Conformational Dependence of Spin–Spin Coupling Constants: Through‐Bond and Through‐Space J(31P,31P) Coupling in Tetraphosphane‐1,4‐diides [M(L)x]2[P4R4](2005)30 cited