Calculation of zero-field splitting parameters: comparison of a two-component noncolinear spin-density-functional method and a one-component perturbational approach
Reviakine, Roman, Arbuznikov, Alexei V, Tremblay, Jean-Christophe, Remenyi, Christian, Malkina, Olga L, Malkin, Vladimir G, Kaupp, Martin
Published in The Journal of chemical physics (07.08.2006)
Published in The Journal of chemical physics (07.08.2006)
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Density Functional Calculations of Electronic g-Tensors for Semiquinone Radical Anions. The Role of Hydrogen Bonding and Substituent Effects
Kaupp, Martin, Remenyi, Christian, Vaara, Juha, Malkina, Olga L, Malkin, Vladimir G
Published in Journal of the American Chemical Society (20.03.2002)
Published in Journal of the American Chemical Society (20.03.2002)
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Journal Article
Spin−Orbit Effects on Hyperfine Coupling Tensors in Transition Metal Complexes Using Hybrid Density Functionals and Accurate Spin−Orbit Operators
Remenyi, Christian, Reviakine, Roman, Arbuznikov, Alexei V, Vaara, Juha, Kaupp, Martin
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.06.2004)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.06.2004)
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Density Functional Study of Electron Paramagnetic Resonance Parameters and Spin Density Distributions of Dicopper(I) Complexes with Bridging Azo and Tetrazine Radical-Anion Ligands
Remenyi, Christian, Reviakine, Roman, Kaupp, Martin
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.03.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.03.2006)
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Journal Article
On the Regioselectivity of the Cyclization of Enyne−Ketenes: A Computational Investigation and Comparison with the Myers-Saito and Schmittel Reaction
Musch, Patrick W, Remenyi, Christian, Helten, Holger, Engels, Bernd
Published in Journal of the American Chemical Society (27.02.2002)
Published in Journal of the American Chemical Society (27.02.2002)
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Synthesis and characterization of manganese-doped CdS nanoparticles
BARGLIK-CHORY, Christine, REMENYI, Christian, MÜLLER, Gerd, DEM, Cristina, SCHMITT, Michael, KIEFER, Wolfgang, GOULD, Charles, RÜSTER, Christian, SCHMIDT, Georg, HOFMANN, Detlev M, PFISTERER, Daniel
Published in Physical chemistry chemical physics : PCCP (31.03.2003)
Published in Physical chemistry chemical physics : PCCP (31.03.2003)
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