Systematic study of the potential energy surface for the base-induced elimination reaction of fluoride ion with ethyl fluoride using density functional theory

Journal of Physical Chemistry A

Volumn 101, Issue 2, 1997, Pages 208-218

  Merrill, Grant N ^b   Gronert, Scott ^a   Kass, Steven R ^b  

^a SAN FRANCISCO STATE UNIVERSITY   (United States)

^b University of Minnesota ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; IONS; MOLECULES;

DENSITY FUNCTIONAL THEORY (DFT); ELIMINATION REACTION; ETHYL FLUORIDE; POTENTIAL ENERGY SURFACE; VARIABLE TRANSITION STATE;

FLUORINE COMPOUNDS;

EID: 0031560532     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962344a     Document Type: Article

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