1.
J Chem Phys
; 126(20): 204308, 2007 May 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-17552763
RESUMO
Electrophilic amination is an appealing synthetic strategy to construct carbon-nitrogen bonds. The authors explore the use of the quantum Monte Carlo method and a proposed variant of the electron pair localization function--the electron pair localization function density--as a measure of the nucleophilicity of nitrogen lone pairs as a possible screening procedure for electrophilic reagents.