Theoretical investigation of the interaction of CH4 with Al 2 and Al3 neutral and charged clusters

Journal of Chemical Physics

Volumn 132, Issue 15, 2010, Pages

  Alexandrou, E I ^a   Gross A ^b   Bacalis, N C ^a  

^a THEORETICAL AND PHYSICAL CHEMISTRY INSTITUTE   (Greece)

^b UNIVERSITY OF ULM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGED CLUSTERS; D ORBITALS; DISSOCIATION BARRIER; MULLIKEN POPULATION ANALYSIS; NEGATIVE CHARGE; ORBITALS; RELEVANT REACTIONS; SPIN STATE; THEORETICAL INVESTIGATIONS; THERMAL VIBRATION; TRANSITION STATE; TRANSITION STATE THEORIES;

BINDING ENERGY; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DESORPTION; ION EXCHANGE; METHANE; SPIN DYNAMICS; VIBRATION ANALYSIS;

ALUMINUM;

ALUMINUM; METHANE;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; STATIC ELECTRICITY;

ALUMINUM; COMPUTER SIMULATION; METHANE; QUANTUM THEORY; STATIC ELECTRICITY;

EID: 77951680819     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3376174     Document Type: Article

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