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

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

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Variable Temperature and EPR Frequency Study of Two Aqueous Gd(III) Complexes with Unprecedented Sharp Lines

Dipole moments of HDO in highly excited vibrational states measured by Stark induced photofragment quantum beat spectroscopy

Ab initio molecular dynamics of liquid hydrogen chloride

The role of second coordination-sphere interactions in incommensurately modulated structures, using beta-K5Yb( MoO4)(4) as an example

Propriétés magnétiques de nanostructures de cobalt adsorbées

Molecular dynamics study of tryptophylglycine: A dipeptide nanotube with confined water

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

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Dynamical monopoles and dipoles in a condensed molecular system: The case of liquid water

MD simulations of acyclic and macrocyclic Gd3+-based MRI contrast agents: Influence of the internal mobility on water proton relaxivity