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  1. 1
    On the geometry dependence of the nuclear magnetic resonance chemical shift of mercury in thiolate complexes A relativistic density functional theory study
    von Wu, Haide
    Veröffentlicht in: Magnetic resonance in chemistry : MRC (2024)
    Schlagworte: “...misc four‐component relativistic...”

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  2. 2
    Solvent effects in four-component relativistic electronic structure theory based on the reference interaction-site model
    von Kanemaru, Kodai
    Veröffentlicht in: Journal of computational chemistry (2023)
    Schlagworte: “...misc four-component relativistic method...”

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  3. 3
    Four-component relativistic calculations of NMR shielding constants of the transition metal complexes. Part 1 Pentaammines of cobalt, rhodium, and iridium
    Schlagworte: “...misc four-component relativistic calculations...”

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  4. 4
    Computational 199 Hg NMR
    Schlagworte: “...misc four-component relativistic calculations...”

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  5. 5
    Normal halogen dependence of 13 C NMR chemical shifts of halogenomethanes revisited at the four-component relativistic level
    Schlagworte: “...misc four-component relativistic scheme...”

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  6. 6
    Four-component relativistic DFT calculations of (77) Se NMR chemical shifts A gateway to a reliable computational scheme for the medium-sized organoselenium molecules
    von Rusakov, Yury Yu
    Veröffentlicht in: Journal of computational chemistry (2015)
    Schlagworte: “...misc gauge including atomic orbitals-four-component relativistic density functional theory...”

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  7. 7
    Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals Application to the ground state single-bond dissociation
    von Ghosh, Anirban
    Veröffentlicht in: Journal of computational chemistry (2015)
    Schlagworte: “...misc four-component relativistic spinors...”

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