| Literature DB >> 22940873 |
Jason G Harrison1, Dean J Tantillo.
Abstract
Quantum chemical computations (B3LYP/LACVP**) were applied to assess the impact of Au(I) complexation on activation barriers for sequential electrocyclization reactions (one a 1,2-dihydroazete ring-opening and another a pentadienyl cation ring-closure) proposed to occur during a complex reaction cascade that converts alkynes and imines to cyclopentenimines.Entities:
Year: 2012 PMID: 22940873 DOI: 10.1007/s00894-012-1558-1
Source DB: PubMed Journal: J Mol Model ISSN: 0948-5023 Impact factor: 1.810