An ab initio CASSCF study of zero field splitting fluctuations in the octet ground state of aqueous [Gd(iii)(HPDO3A)(H2O)]-Reference-Cited by-同舟云学术

An ab initio CASSCF study of zero field splitting fluctuations in the octet ground state of aqueous [Gd(iii)(HPDO3A)(H2O)]

Published:2017-12-28 Issue:24 Volume:147 Page:244306
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Khan Shehryar¹,Pollet Rodolphe²,Vuilleumier Rodolphe³⁴,Kowalewski Jozef⁵,Odelius Michael¹^ORCID

Affiliation:

1. Department of Physics, Stockholm University, AlbaNova University Center, 106 91 Stockholm, Sweden

2. NIMBE, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191 Gif-sur-Yvette Cedex, France

3. PASTEUR, Département de Chimie, École Normale Supérieure, UPMC Univ. Paris 06, CNRS, PSL Research University, 75005 Paris, France

4. Sorbonne Universités, UPMC Univ. Paris 06, École Normale Supérieure, CNRS, Processus d’Activation Sélective par Transfert d’Énergie Uni-Électronique ou Radiatif (PASTEUR), 75005 Paris, France

5. Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, 106 91 Stockholm, Sweden

Funder

Vetenskapsrådet

EC | Seventh Framework Programme

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5010347

Reference41 articles.

1. Gd(III)-BASED CONTRAST AGENTS FOR MRI

2. Strategies for increasing the sensitivity of gadolinium based MRI contrast agents

3. Classification and basic properties of contrast agents for magnetic resonance imaging

4. Proton Relaxation Times in Paramagnetic Solutions. Effects of Electron Spin Relaxation

5. The Chemistry of Contrast Agents in Medical Magnetic Resonance Imaging

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