Search Results - Gruden-Pavlovi, Maja

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  1. 1
    Unique mononuclear Mn complexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity

    Unique mononuclear Mn complexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity by Adhikary, Jaydeep, Chakraborty, Aratrika, Dasgupta, Sanchari, Chattopadhyay, Shyamal Kumar, Kruszynski, Rafa, Trzesowska-Kruszynska, Agata, Stepanovi, Stepan, Gruden-Pavlovi, Maja, Swart, Marcel, Das, Debasis

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  2. 2
    Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(ii) complexes with potential molecular magnet behaviorElectronic supplementary information (ESI) available: Vibronic theory, LF-DFT procedure and all non-empirically determined LF parameters, detailed LF-DFT results, structural results at the GGA and LDA level, Cartesian coordinates of all the studied complexes optimized at the B3LYP level. See DOI: 10.1039/c3sc52984c

    Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(ii) complexes with potential molecular magnet behaviorElectronic supplementary information (E... by Gruden-Pavlovi, Maja, Peri, Marko, Zlatar, Matija, García-Fernández, Pablo

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  3. 3
    Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cationsElectronic supplementary information (ESI) available: Coordinates of all species, and bond lengths. See DOI: 10.1039/c2cp43735j

    Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cationsElectronic supplementary infor... by Zlatar, Matija, Gruden-Pavlovi, Maja, Güell, Mireia, Swart, Marcel

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  4. 4
    General treatment of the multimode Jahn-Teller effect: study of fullerene cations

    General treatment of the multimode Jahn-Teller effect: study of fullerene cations by Ramanantoanina, Harry, Zlatar, Matija, García-Fernández, Pablo, Daul, Claude, Gruden-Pavlovi, Maja

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