The performance of density function theory in describing gas-phase SN2 reactions at saturated nitrogen

International Journal of Mass Spectrometry

Volumn 221, Issue 1, 2002, Pages 59-65

  Ren, Yi ^a   Wolk, Joel L ^b   Hoz, Shmaryahu ^b  

^a SICHUAN UNIVERSITY   (China)

^b BAR ILAN UNIVERSITY   (Israel)

Author keywords

Complexation energies; Nucleophilic substitution reaction; Transition state

Indexed keywords

NITROGEN;

ARTICLE; CALCULATION; COMPLEX FORMATION; ENERGY; INTERMETHOD COMPARISON; MOLECULAR INTERACTION; PHASE TRANSITION;

EID: 0036829954     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1387-3806(02)00894-1     Document Type: Article

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