Computational modelling of interactions between gold complexes and silicates

Mohammadnejad, S., Provis, J.L. orcid.org/0000-0003-3372-8922 and van Deventer, J.S.J. (2017) Computational modelling of interactions between gold complexes and silicates. Computational and Theoretical Chemistry, 1101. pp. 113-121. ISSN 2210-271X

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Copyright, Publisher and Additional Information: © 2016 Elsevier B.V. This is an author produced version of a paper subsequently published in Computational and Theoretical Chemistry. Uploaded in accordance with the publisher's self-archiving policy. Article available under the terms of the CC-BY-NC-ND licence (https://creativecommons.org/licenses/by-nc-nd/4.0/)
Keywords: Density functional theory; COSMO solvation; Gold chloride; Gold thiourea; Gold thiosulphate; Silicate
Dates:
  • Published: 1 February 2017
  • Accepted: 24 December 2016
  • Published (online): 28 December 2016
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Materials Science and Engineering (Sheffield)
Depositing User: Symplectic Sheffield
Date Deposited: 10 Feb 2017 13:35
Last Modified: 28 Dec 2017 01:38
Published Version: https://doi.org/10.1016/j.comptc.2016.12.036
Status: Published
Publisher: Elsevier
Refereed: Yes
Identification Number: https://doi.org/10.1016/j.comptc.2016.12.036

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