Four-mode calculation of resonance states of intermediate complexes in the SN2 reaction Cl- + CH3Cl′ → ClCH3 + Cl′-

Journal of Chemical Physics

Volumn 118, Issue 10, 2003, Pages 4499-4516

  Schmatz, Stefan ^a   Hauschildt, Jan ^b  

^a UNIVERSITY OF GÖTTINGEN   (Germany)

^b MAX PLANCK INSTITUTE FOR DYNAMICS AND SELF ORGANIZATION   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CALCULATIONS; CARBON; CHEMICAL BONDS; CHLORINE; COMPLEXATION; ELECTRON ENERGY LEVELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PHASE TRANSITIONS; QUANTUM THEORY;

FILTER DIAGONALIZATION METHOD; INTERMOLECULAR STRETCHING MODE; POTENTIAL ENERGY SURFACE; QUANTUM NUMBER; STRETCHING VIBRATION;

ELECTRON RESONANCE;

EID: 0037426215     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1541626     Document Type: Article

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