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Ab-initio Simulation of Oxygen at Megabar Pressures
Ab-initio Simulation of Oxygen at Megabar Pressures
1996
Carlo Cavazzoni
Guido L. Chiarotti
P. Focher
Sandro Scandolo
Erio Tosatti
Keywords:
Oxygen
First principle
Computational chemistry
Ab initio
Lattice constant
Structure factor
X-ray crystallography
Molecular dynamics
Chemistry
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