Yttrium complexation and hydration in chloride-rich hydrothermal fluids: A combined ab initio molecular dynamics and in situ X-ray absorption spectroscopy study-Reference-Cited by-同舟云学术

Yttrium complexation and hydration in chloride-rich hydrothermal fluids: A combined ab initio molecular dynamics and in situ X-ray absorption spectroscopy study

Published:2020-07 Issue: Volume:281 Page:168-189
ISSN:0016-7037
Container-title:Geochimica et Cosmochimica Acta
language:en
Short-container-title:Geochimica et Cosmochimica Acta

Author:

Guan Qiushi,Mei Yuan^ORCID,Etschmann Barbara,Testemale Denis,Louvel Marion,Brugger Joël^ORCID

Funder

Australian Research Council

Australian Government

Government of Western Australia

National Computational Infrastructure

CSIRO Deep Earth Imaging Future Science Platform

European Union’s Horizon 2020

Publisher

Elsevier BV

Subject

Geochemistry and Petrology

Reference96 articles.

1. Computer Simulation of Liquids Oxford University;Allen,1987

2. Coordination chemistry of trivalent lanthanide and actinide ions in dilute and concentrated chloride solutions;Allen;Inorg. Chem.,2000

3. Structure, dynamics, and spectral diffusion of water from first-principles molecular dynamics;Bankura;J. Phys. Chem. 1066 C,2014

4. Comparative study of yttrium and rare-earth element behaviours in fluorine-rich hydrothermal fluids;Bau;Contrib. Miner. Petrol.,1995

5. Density-functional exchange-energy approximation with correct asymptotic behavior;Becke;Phys. Rev. A,1988

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