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

International Journal of Quantum Chemistry

Volumn 65, Issue 5, 1997, Pages 919-928

  Sosa, Ramón M ^a   Gardiol, Patricia ^a   Beltrame, Gerardo ^a  

^a NONE

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EID: 0000606407     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)65:5<919::AID-QUA55>3.0.CO;2-Q     Document Type: Article

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