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Your search keyword '"Manganese alloys -- Structure"' showing total 2 results
Start Over Descriptor "Manganese alloys -- Structure" Journal journal of physical chemistry a
2 results on '"Manganese alloys -- Structure"'

1. Density functional theory study of the interaction of carbon monoxide with bimetallic Co-Mn clusters

Author

Jinli Du, Guangfen Wu, and Jinlan Wang

Subjects
Adsorption -- Analysis, Carbon monoxide -- Chemical properties, Cobalt alloys -- Chemical properties, Cobalt alloys -- Structure, Cobalt alloys -- Magnetic properties, Density functionals -- Usage, Manganese alloys -- Chemical properties, Manganese alloys -- Structure, Manganese alloys -- Magnetic properties, Chemicals, plastics and rubber industries
Published
2010

2. Prediction of the equilibrium structures and photomagnetic properties of the Prussian blue analogue RbMn[Fe[(CN).sub.6] by density functional theory

Author

Luzon, Javier, Castro, Miguel, Vertelman, Esther J.M., Gengler, Regis Y.N., Van Koningsbruggen, Petra J., Molodtsova, Olga, Knupfer, Martin, Rudolf, Petra, van Loosdrecht, Paul H.M., and Broer, Ria

Subjects
Density functionals -- Usage, Manganese alloys -- Magnetic properties, Manganese alloys -- Optical properties, Manganese alloys -- Structure, Rubidium -- Magnetic properties, Rubidium -- Optical properties, Chemicals, plastics and rubber industries
Abstract

A study is conducted to evaluate the suitability of a periodic density functional method for studying and predicting the photomagnetic behavior of Prussian blue analogues and related materials. It is observed that method allows correct description of the equilibrium structures of the different electronic configurations with regard to the cell parameters and bond distances.

Published
2008

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