Resonances in SN2 reactions: Two-mode quantum calculations for Cl-+Ch3Br on a coupled-cluster potential energy surface

Journal of Chemical Physics

Volumn 117, Issue 21, 2002, Pages 9710-9718

  Schmatz, Stefan ^a   Botschwina, Peter ^a   Hauschildt, Jan ^b   Schinke, Reinhard ^b  

^a UNIVERSITY OF GÖTTINGEN   (Germany)

^b MPIS   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRON TUNNELING; ELECTRONIC DENSITY OF STATES; POTENTIAL ENERGY; QUANTUM THEORY; RESONANCE; SURFACE REACTIONS;

QUANTUM DYNAMICS;

SUBSTITUTION REACTIONS;

EID: 0036906026     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1516799     Document Type: Article

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