Cutting a chemical bond with demon's scissors: Mode- and bond-selective reactivity of methane on metal surfaces

Surface Science

Volumn 640, Issue , 2015, Pages 25-35

  Lozano, A ^a   Shen, X J ^b,c   Moiraghi, R ^a   Dong, W ^b   Busnengo, H F ^a  

^a UNIVERSIDAD NACIONAL DE ROSARIO   (Argentina)

^b UNIVERSITÉ DE LYON   (France)

^c INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

Author keywords

Adsorption; Bond selectivity; Methane; Molecular dynamics; Reactive force fields; Surfaces

Indexed keywords

ADSORPTION; ATMOSPHERIC TEMPERATURE; DEGREES OF FREEDOM (MECHANICS); METAL CUTTING; METHANE; MOLECULAR BEAMS; MOLECULAR DYNAMICS; REACTION KINETICS; SURFACES;

POLYATOMIC MOLECULES; QUASI-CLASSICAL-TRAJECTORY CALCULATIONS; REACTIVE FORCE FIELD; SELECTIVE REACTIVITY; SUPERSONIC MOLECULAR BEAM; SURFACE DYNAMICS; SURFACE TEMPERATURES; VIBRATIONAL ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 84943756601     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2015.04.002     Document Type: Article

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