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Electronic effects in 12-metallacrown-3 complexes. A theoretical and experimental study

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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

Electronic effects in 12-metallacrown-3 complexes. A theoretical and experimental study

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

State-Resolved Reactivity of CH4(2ν3) on Pt(111) and Ni(111): Effects of Barrier Height and Transition State Location

Large area deposition in high vacuum with high thickness uniformity

Effusing source for film deposition of reservoir, comprises hole having hole diameter less than one order of magnitude than mean free path of molecules

Nonuniversal velocity fluctuations of sedimenting particles

Quantification of microdamage phenomena during tensile straining of high volume fraction particle reinforced aluminum

The role of carrier mobility in holographic recording in LiNbO3

Mechanical properties of individual microtubules measured using atomic force microscopy

Cavitation Erosion Prediction on Francis Turbines Part 3 : Methodologies of Prediction

Lifetime lengthenings of molecular Rydberg states in condensed matter

Mechanical properties of individual microtubules measured using atomic force microscopy

Effusing source for film deposition of reservoir, comprises hole having hole diameter less than one order of magnitude than mean free path of molecules

The role of carrier mobility in holographic recording in LiNbO3

Large area deposition in high vacuum with high thickness uniformity

Quantification of microdamage phenomena during tensile straining of high volume fraction particle reinforced aluminum

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

State-Resolved Reactivity of CH4(2ν3) on Pt(111) and Ni(111): Effects of Barrier Height and Transition State Location

Cavitation Erosion Prediction on Francis Turbines Part 3 : Methodologies of Prediction

Nonuniversal velocity fluctuations of sedimenting particles

Lifetime lengthenings of molecular Rydberg states in condensed matter