Performance of density functionals for the structure and energetics of (M–O)0,± (M=Al, Si, Sc

Performance of density functionals for the structure and energetics of (M–O)0,± (M=Al, Si, Sc–Zn)

Published:2018-12-18 Issue:6 Volume:45 Page:475-491
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Sampathkumar Suresh¹,Paranthaman Selvarengan¹

Affiliation:

1. Department of Physics and International Research Centre, Kalasalingam Academy of Research and Education (Deemed to be University), Krishnankoil, India

Funder

Science and Engineering Research Board, Department of Science and Technology, Government of India

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2018.1557331

Reference94 articles.

1. Chemically Induced Oscillatory Exchange Coupling in Chromium Oxide Clusters

2. Magnetic isomers and local moment distribution inMn5OandMn6Oclusters

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