Search Results - Rauhalahti, Markus

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  1. 1
    Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentials

    Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentials by Rauhalahti, Markus, Taubert, Stefan, Sundholm, Dage, Liégeois, Vincent

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  2. 2
    Magnetically induced ring currents in naphthalene-fused heteroporphyrinoids

    Magnetically induced ring currents in naphthalene-fused heteroporphyrinoids by Rauhalahti, Markus, Sundholm, Dage, Johansson, Mikael P

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  3. 3
    Interaction in multilayer clusters: a theoretical survey of [Sn@Cu 12 @Sn 20 ] 12− , a three-layer matryoshka-like intermetalloid

    Interaction in multilayer clusters: a theoretical survey of [Sn@Cu 12 @Sn 20 ] 12− , a three-layer matryoshka-like intermetalloid by Rauhalahti, Markus, Muñoz-Castro, Alvaro

    Published in RSC advances
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  4. 4
    Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentialsElectronic supplementary information (ESI) available: The transformation of density matrices expressed in real spherical-harmonic basis sets to density matrices in Cartesian basis sets is described in detail. The Cartesian coordinates of the studied molecules are reported. See DOI: 10.1039/c7cp00194k

    Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentialsElectronic supplementary information (ESI) available: The tr... by Rauhalahti, Markus, Taubert, Stefan, Sundholm, Dage, Liégeois, Vincent

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  5. 5
    Dispersion forces drive water oxidation in molecular ruthenium catalysts

    Dispersion forces drive water oxidation in molecular ruthenium catalysts by Johansson, Mikael P, Niederegger, Lukas, Rauhalahti, Markus, Hess, Corinna R, Kaila, Ville R. I

    Published in RSC advances
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  6. 6
    Nuclear Magnetic Shieldings of Stacked Aromatic and Antiaromatic Molecules

    Nuclear Magnetic Shieldings of Stacked Aromatic and Antiaromatic Molecules by Sundholm, Dage, Rauhalahti, Markus, Özcan, Nergiz, Mera-Adasme, Raúl, Kussmann, Jörg, Luenser, Arne, Ochsenfeld, Christian

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  7. 7
    Interaction in multilayer clusters: a theoretical survey of [Sn@Cu12@Sn20]12−, a three-layer matryoshka-like intermetalloidElectronic supplementary information (ESI) available: Fig. S1, Table S1 and S2. See DOI: 10.1039/c4ra16660d

    Interaction in multilayer clusters: a theoretical survey of [Sn@Cu12@Sn20]12−, a three-layer matryoshka-like intermetalloidElectronic supplementary information (ESI) available: Fig... by Rauhalahti, Markus, Muñoz-Castro, Alvaro

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  8. 8
    Interaction in multilayer clusters: a theoretical survey of [Snu sub(12)n sub(20)] super(12-), a three-layer matryoshka-like intermetalloid

    Interaction in multilayer clusters: a theoretical survey of [Snu sub(12)n sub(20)] super(12-), a three-layer matryoshka-like intermetalloid by Rauhalahti, Markus, Munoz-Castro, Alvaro

    Published in RSC advances
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  9. 9
    Aromaticity introduced by antiferromagnetic ligand mediated metal–metal interactions. Insights from the induced magnetic response in [Cu6(dmPz)6(OH)6]

    Aromaticity introduced by antiferromagnetic ligand mediated metal–metal interactions. Insights from the induced magnetic response in [Cu6(dmPz)6(OH)6] by Molina, Vanessa, Rauhalahti, Markus, Hurtado, John, Fliegl, Heike, Sundholm, Dage, Munoz-Castro, Alvaro

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