A Coupled Car-Parrinello Molecular Dynamics and EXAFS Data Analysis Investigation of Aqueous Co2+-Reference-Cited by-同舟云学术

A Coupled Car-Parrinello Molecular Dynamics and EXAFS Data Analysis Investigation of Aqueous Co2+

Published:2006-11-10 Issue:48 Volume:110 Page:13081-13088
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Spezia Riccardo¹,Duvail Magali¹,Vitorge Pierre¹,Cartailler Thierry¹,Tortajada Jeanine¹,Chillemi Giovanni¹,D‘Angelo Paola¹,Gaigeot Marie-Pierre¹

Affiliation:

1. Laboratoire Analyse et Modélisation pour la Biologie et l’Environnement, UMR-CNRS 8587, Université d’Evry Val d’Essonne, Boulevard F. Mitterrand, 91025 Evry Cedex, France, CEA Saclay, DEN, DPC, SECR, LSRM, 91991 Gif Sur Yvette, France, CASPUR, Inter-University Consortium for Supercomputing in Research, via dei Tizii 6b, 00185 Roma, Italy, Dipartimento di Chimica, Università di Roma “La Sapienza”, P.le Aldo Moro 5, 00185 Roma, Italy, and LPTMC, Université Pierre et Marie Curie-Paris 6, UMR-CNRS 7600, 4...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp064688z

Reference81 articles.

1. Structure and dynamics of hydrated ions

2. Ionic radii in aqueous solutions

3. Characterization of dynamics and reactivities of solvated ions byab initio simulations

4. Treatment of Substitution and Rearrangement Mechanisms of Transition Metal Complexes with Quantum Chemical Methods

Cited by 49 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Structure and size of complete hydration shells of metal ions and inorganic anions in aqueous solution;Dalton Transactions;2024

2. Hydration and Solvation of Metal Ions;Metal Ions and Complexes in Solution;2023-12-04

3. Unraveling the Ag+ ion coordination and solvation thermodynamics in the 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid;Journal of Molecular Liquids;2023-10

4. Investigating the High-Temperature Water/MgCl₂ Interface through Ambient Pressure Soft X-ray Absorption Spectroscopy;ACS Applied Materials & Interfaces;2023-05-18

5. Direct Observation of Contact Ion-Pair Formation in La³⁺ Methanol Solution;Inorganic Chemistry;2022-10-18