Materials discovery by chemical analogy: role of oxidation states in structure prediction-Reference-Cited by-同舟云学术

Materials discovery by chemical analogy: role of oxidation states in structure prediction

Published:2018 Issue: Volume:211 Page:553-568
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Davies Daniel W.¹²³⁴⁵^ORCID,Butler Keith T.¹²³⁴⁵^ORCID,Isayev Olexandr⁶⁷⁸⁹¹⁰^ORCID,Walsh Aron¹¹¹²¹³¹⁴¹⁵^ORCID

Affiliation:

1. Centre for Sustainable Chemical Technologies

2. Department of Chemistry

3. University of Bath

4. Bath BA2 7AY

5. UK

6. Laboratory of Molecular Modeling

7. Division of Chemical Biological and Medicinal Chemistry

8. UNC Eshelman School of Pharmacy

9. University of North Carolina

10. North Carolina 27599

11. Department of Materials Science and Engineering

12. Yonsei University

13. Seoul 03722

14. Korea

15. Department of Materials

Abstract

We have built a model that ascribes probabilities to the formation of hypothetical compounds, given the proposed oxidation states of the constituent species.

Funder

Engineering and Physical Sciences Research Council

Royal Society

Leverhulme Trust

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/FD/C8FD00032H

Reference36 articles.

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2. THE ARRANGEMENT OF ELECTRONS IN ATOMS AND MOLECULES.

3. W. M. Latimer , The Oxidation States of the Elements and their Potentials in Aqueous Solutions , Prentice Hall , 1938

4. Rules for Naming Inorganic Compounds*: Report of the Committee of the International Union of Chemistry for the Reform of Inorganic Chemical Nomenclature, 1940

5. The modern theory of valency

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