(Q31112952)

28 June 2017

title

Ab initio simulation of a gadolinium-based magnetic resonance imaging contrast agent in aqueous solution (English)

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28 June 2017

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Rodolphe Pollet

1

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28 June 2017

Dominik Marx

series ordinal

2

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28 June 2017

language of work or name

English

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publication date

1 May 2007

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Journal of Chemical Physics

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published in

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28 June 2017

volume

126

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issue

18

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28 June 2017

page(s)

181102

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Gadolinium(III) Chelates as MRI Contrast Agents: Structure, Dynamics, and Applications

28 June 2017

cites work

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Strategies for increasing the sensitivity of gadolinium based MRI contrast agents

21 January 2018

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Lanthanides in magnetic resonance imaging

21 January 2018

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Gd-HP-DO3A in clinical MR imaging of the brain

21 January 2018

1 reference

Unified Approach for Molecular Dynamics and Density-Functional Theory

21 January 2018

1 reference

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

21 January 2018

1 reference

Nonlinear ionic pseudopotentials in spin-density-functional calculations

21 January 2018

1 reference

17O nuclear quadrupole coupling constants of water bound to a metal ion: a gadolinium(III) case study

21 January 2018

1 reference

Structure and dynamics of OH-(aq).

21 January 2018

1 reference

GROMACS: A message-passing parallel molecular dynamics implementation

21 January 2018

1 reference

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

21 January 2018

1 reference

Molecular dynamics simulation of [Gd(egta)(H(2)O)](-) in aqueous solution: internal motions of the poly(amino carboxylate) and water ligands, and rotational correlation times

21 January 2018

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Conformational characterization of lanthanide(III)-DOTA complexes by ab initio investigation in vacuo and in aqueous solution.

21 January 2018

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Relaxation Processes in a System of Two Spins

21 January 2018

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Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants

21 January 2018

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GROMACS 3.0: a package for molecular simulation and trajectory analysis

21 January 2018

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Modelling studies in aqueous solution of lanthanide (III) chelates designed for nuclear magnetic resonance biomedical applications

21 January 2018

1 reference

Gd(III)-BASED CONTRAST AGENTS FOR MRI

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2736369

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28 June 2017

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