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Lothar Helm

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Gadolinium(III) ion in liquid water: structure, dynamics and magnetic interactions from first principles

Lothar Helm, Oleg Yazyev

We applied first principles molecular dynamics (MD) technique to study structure, dynamics, and magnetic interactions of the

Gd^{3+}

aqua ion dissolved in liquid water, a prototypical system for Gd-based complexes used as contrast agents for magnetic res ...

2007

Lothar Helm

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Multiple-frequency EPR spectra of two aqueous Gd3+ polyaminopolypyridinecarboxylate complexes: a study of high field effects

Design of Gd(III)-Based Magnetic Resonance Imaging Contrast Agents: Static and Transient Zero-Field Splitting Contributions to the Electronic Relaxation and Their Impact on Relaxivity

Defect-induced magnetism in graphene

Gadolinium(III) ion in liquid water: structure, dynamics and magnetic interactions from first principles

Magnetism induced by single-atom defects in nanographites

H5EPTPACH2OH: Synthesis, Relaxometric Characterization and 1H NMR Spectroscopic Studies on the Solution Dynamics of Its LnIII Complexes

Phosphinic derivative of DTPA conjugated to a G5 PAMAM dendrimer: an 17O and 1H relaxation study of its Gd(III) complex

A High-Frequency EPR Study of Frozen Solutions of Gd(III) Complexes: Straightforward Determination of the Zero-Field Splitting Parameters and Simulation of the NMRD Profiles

Isomerization mechanisms of a labile Co(II) octahedral complex

Kinetic studies on the first dihydrogen aquacomplex, [Ru(H2)(H2O)5]2+: Formation under H2 pressure and catalytic H/D isotope exchange in water

Gadolinium(III) ion in liquid water: structure, dynamics and magnetic interactions from first principles

Defect-induced magnetism in graphene

Kinetic studies on the first dihydrogen aquacomplex, [Ru(H2)(H2O)5]2+: Formation under H2 pressure and catalytic H/D isotope exchange in water

Phosphinic derivative of DTPA conjugated to a G5 PAMAM dendrimer: an 17O and 1H relaxation study of its Gd(III) complex

Design of Gd(III)-Based Magnetic Resonance Imaging Contrast Agents: Static and Transient Zero-Field Splitting Contributions to the Electronic Relaxation and Their Impact on Relaxivity

Isomerization mechanisms of a labile Co(II) octahedral complex

A High-Frequency EPR Study of Frozen Solutions of Gd(III) Complexes: Straightforward Determination of the Zero-Field Splitting Parameters and Simulation of the NMRD Profiles

Magnetism induced by single-atom defects in nanographites

H5EPTPACH2OH: Synthesis, Relaxometric Characterization and 1H NMR Spectroscopic Studies on the Solution Dynamics of Its LnIII Complexes

Multiple-frequency EPR spectra of two aqueous Gd3+ polyaminopolypyridinecarboxylate complexes: a study of high field effects