Electronic structure and geometry optimization of nanoparticles Fe2C, FeC2, Fe3C, FeC3 and Fe2C2
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference25 articles.
1. Quantum chemical study of the geometric and electronic structure of the FeC2 molecule
2. The low-lying electronic states and harmonic vibrational frequencies of FeC2 and FeC2−
3. STUDY OF IRON–CARBON MIXED CLUSTERS FeCn (n=2−5): A POSSIBLE LINEAR-TO-CYCLIC TRANSITION FROM FeC3 TO FeC4
4. Interaction of carbon atoms with Fen, Fen−, and Fen+ clusters (n=1–6)
5. A theoretical study of the electronic structure of transition-element carbides MnC (M=Fe, Ni, Cu,n=1, 5; and M=Ti,n=1, 7) and their interactions with an O atom by DFT methods
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