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Molecular dynamics of Gd(III) complexes in aqueous solution by HF EPR

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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

Molecular dynamics of Gd(III) complexes in aqueous solution by HF EPR

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Long-lived states to sustain hyperpolarized magnetization

Multiple Frequency and Variable Temperature EPR study of Gd(III) polyaminocarboxylates: analysis and comparison of the magnetically dilute powder and the frozen solution spectra

Nuclear Spin Relaxation Parameters of MRI Contrast Agents – Insight from Quantum Mechanical Calculations

Physicochemical Properties of the High-Field MRI-Relevant [Gd(DTTA-Me)(H2O)2]− Complex

Highly efficient MRI contrast agents

Theoretical investigations of magnetic properties of MRI contrast agents and carbon nanostructures

Stochastic Liouville equation treatment of the electron paramagnetic resonance line shape of an S-state ion in solution

Relaxivity of Gd-based contrast agents on X nuclei with long intrinsic relaxation times in aqueous solutions

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

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

Nuclear Spin Relaxation Parameters of MRI Contrast Agents – Insight from Quantum Mechanical Calculations

Multiple Frequency and Variable Temperature EPR study of Gd(III) polyaminocarboxylates: analysis and comparison of the magnetically dilute powder and the frozen solution spectra

Theoretical investigations of magnetic properties of MRI contrast agents and carbon nanostructures

Highly efficient MRI contrast agents

Long-lived states to sustain hyperpolarized magnetization

Physicochemical Properties of the High-Field MRI-Relevant [Gd(DTTA-Me)(H2O)2]− Complex

Stochastic Liouville equation treatment of the electron paramagnetic resonance line shape of an S-state ion in solution

Relaxivity of Gd-based contrast agents on X nuclei with long intrinsic relaxation times in aqueous solutions

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

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