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Polymeric aqua(glutarato)(hydrogen glutarato)lanthanum(III) monohydrate

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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

Polymeric aqua(glutarato)(hydrogen glutarato)lanthanum(III) monohydrate

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A Crystallographic Story of Snakes and Ladders: Encapsulated Water Polymers and Rigid Metal Complexes Based on Mono-N-substituted Carboxylate 4,4'-Bipyridine

A combined QM/MM and Classical Molecular Dynamics Study of [Ru(bpy)3]2+ in Water

Water adsorption on a sodium smectite clay surface: an ab initio study

Scaling of double and single stranded DNA

Role of Inner- and Outer-Sphere Bonding in the Sensitization of EuIII-Luminescence Deciphered by Combined Analysis of Experimental Electron Density Distribution Function and Photophysical Data

Phosphodiester Cleavage in Ribonuclease H Occurs via an Associative Two-Metal-Aided Catalytic Mechanism

Fibrogenic fibroblasts increase intercellular adhesion strength by reinforcing individual OB-cadherin bonds

A Novel Strategy for the Design of 8-Hydroxyquinolinate- Based Lanthanide Bioprobes That Emit in the Near Infrared Range

Single-molecule-level characterization of supramolecular systems at surfaces

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

A combined QM/MM and Classical Molecular Dynamics Study of [Ru(bpy)3]2+ in Water

A Novel Strategy for the Design of 8-Hydroxyquinolinate- Based Lanthanide Bioprobes That Emit in the Near Infrared Range

Single-molecule-level characterization of supramolecular systems at surfaces

Scaling of double and single stranded DNA

Role of Inner- and Outer-Sphere Bonding in the Sensitization of EuIII-Luminescence Deciphered by Combined Analysis of Experimental Electron Density Distribution Function and Photophysical Data

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

Fibrogenic fibroblasts increase intercellular adhesion strength by reinforcing individual OB-cadherin bonds

Phosphodiester Cleavage in Ribonuclease H Occurs via an Associative Two-Metal-Aided Catalytic Mechanism

A Crystallographic Story of Snakes and Ladders: Encapsulated Water Polymers and Rigid Metal Complexes Based on Mono-N-substituted Carboxylate 4,4'-Bipyridine

Water adsorption on a sodium smectite clay surface: an ab initio study