Dehydrogenation of methane by gas-phase Th, Th+, and Th 2+: Theoretical insights into actinide chemistry

Organometallics

Volumn 29, Issue 17, 2010, Pages 3735-3745

  De Almeida, K J ^a   Duarte, H A ^a  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; BARRIER HEIGHTS; CLOSED SHELLS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC FACTORS; ELECTROSTATIC REPULSION; GASPHASE; METAL CENTERS; ORBITALS; REACTION MECHANISM; SPIN ORBIT INTERACTIONS; SPIN STATE; TRANSITION-STATE;

BOND STRENGTH (CHEMICAL); DEHYDROGENATION; METHANE; SPIN DYNAMICS; THORIUM;

DENSITY FUNCTIONAL THEORY;

EID: 77956410638     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om100156r     Document Type: Article

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