Solvent effect on Al(III) hydrolysis constants from density functional theory-Reference-Cited by-同舟云学术

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Solvent effect on Al(III) hydrolysis constants from density functional theory

Published:2019-01-16 Issue:9-12 Volume:117 Page:1507-1518
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Ridley Moira K.¹,Lischka Hans²³⁴,Tunega Daniel²⁵,Aquino Adelia J.A.²⁴⁵

Affiliation:

1. Department of Geosciences, Texas Tech University, Lubbock, USA

2. School of Pharmaceutical Science and Technology, Tianjin University, Tianjin, People's Republic of China

3. Institute of Theoretical Chemistry, University of Vienna, Vienna, Austria

4. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, USA

5. Institute for Soil Research, University of Natural Resources and Life Sciences, Vienna, Austria

Funder

National Science Foundation

Vienna Scientific Cluster

Texas Tech University

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2019.1567846

Reference63 articles.

1. Density Functional Theory Study on Aqueous Aluminum−Fluoride Complexes: Exploration of the Intrinsic Relationship between Water-Exchange Rate Constants and Structural Parameters for Monomer Aluminum Complexes

2. The Arrangement of First- and Second-Shell Water Molecules in Trivalent Aluminum Complexes: Results from Density Functional Theory and Structural Crystallography

3. Theoretical Investigation of the Nature of Aluminum-Containing Species Present in Alkaline Solution

4. Influence of F−Coordination on Al3+Hydrolysis Reactions from Density Functional Theory Calculations

5. Differential Solvation

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