A spin-orbit coupling study on the spin inversion processes in the direct methane-to-methanol conversion by FeO+

Journal of Chemical Physics

Volumn 118, Issue 13, 2003, Pages 5872-5879

  Shiota, Yoshihito ^a   Yoshizawa, Kazunari ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRON TRANSITIONS; ENERGY GAP; IRON COMPOUNDS; METHANE; METHANOL; MOLECULAR ORIENTATION; OXIDATION; PHASE TRANSITIONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

MOLECULAR ORBITALS; SPIN FORBIDDEN TRANSITIONS; SPIN INVERSION PROCESSES; SPIN-ORBIT COUPLING;

MAGNETIZATION;

EID: 0037397034     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1557192     Document Type: Article

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