An electron localization function and catastrophe theory analysis on the molecular mechanism of gas-phase identity SN2 reactions

Theoretical Chemistry Accounts

Volumn 120, Issue 4-6, 2008, Pages 341-349

  Polo, Victor ^a   Gonzalez Navarrete, Patricio ^a   Silvi, Bernard ^b   Andres, Juan ^a  

^a UNIVERSITAT JAUME I   (Spain)

^b SORBONNE UNIVERSITÉ   (France)

Author keywords

Catastrophe theory; DFT calculations; Electron localization function (ELF); Methyl transfer reactions; SN2 reactions

Indexed keywords

EID: 45449088924     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-008-0427-6     Document Type: Article

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