Hydration Properties of the Bromide Aqua Ion: the Interplay of First Principle and Classical Molecular Dynamics, and X-ray Absorption Spectroscopy-Reference-Cited by-同舟云学术

Hydration Properties of the Bromide Aqua Ion: the Interplay of First Principle and Classical Molecular Dynamics, and X-ray Absorption Spectroscopy

Published:2010-04-12 Issue:9 Volume:49 Page:4224-4231
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

D’Angelo Paola¹,Migliorati Valentina¹,Guidoni Leonardo²

Affiliation:

1. Dipartimento di Chimica, Università di Roma “La Sapienza”, P.le A. Moro 5, 00185 Roma, Italy

2. Dipartimento di Chimica, Ingegneria Chimica e Materiali, Università degli Studi dell’Aquila, via Campo di Pile, zona industriale di Pile, 67100, L’Aquila, Italy

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ic9025574

Reference57 articles.

1. Molecular Mechanism of HCl Acid Ionization in Water: Ab Initio Potential Energy Surfaces and Monte Carlo Simulations

2. Reorientional dynamics of water molecules in anionic hydration shells

3. Development and Validation of an Integrated Computational Approach for the Study of Ionic Species in Solution by Means of Effective Two-Body Potentials. The Case of Zn2 +, Ni2 +, and Co2 + in Aqueous Solutions

4. Integrated experimental and theoretical approach for the structural characterization of Hg2+ aqueous solutions

5. Structural and Dynamical Properties of the Hg2+ Aqua Ion: A Molecular Dynamics Study

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