Ab initio and DFT modeling of stereoselective deamination of aziridines by nitrosyl chloride

International Journal of Quantum Chemistry

Volumn 102, Issue 2, 2005, Pages 139-146

  Kalaiselvan, Anbarasan ^a   Venuvanalingam, Ponnambalam ^a   Poater, Jordi ^b   Solà, Miquel ^b  

^a BHARATHIDASAN UNIVERSITY   (India)

^b UNIVERSITY OF GIRONA   (Spain)

Author keywords

Ab initio; Aziridines; Deamination; DFT; PS B3LYP calculations; Ring opening

Indexed keywords

AMINATION; AMINES; ATOMIZATION; CHARACTERIZATION; CHEMICAL BONDS; COMPLEXATION; DERIVATIVES; OLEFINS; OPTIMIZATION; REACTION KINETICS;

AB INITIO; AZIRIDINES; DEAMINATION; DENSITY FUNCTIONAL THEORY (DFT); PS-B3LYP CALCULATIONS; RING OPENING;

STEREOCHEMISTRY;

EID: 15944414228     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20364     Document Type: Article

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