| Literature DB >> 16491199 |
Fausto Cargnoni1, Giorgio Molteni, David L Cooper, Mario Raimondi, Alessandro Ponti.
Abstract
The electronic structure of nitrilimine HCNNH is shown to essentially be propargylic by CASSCF and Spin-Coupled (modern VB) calculations; in contrast to a recent claim, the carbenic resonance form is absent.Entities:
Year: 2006 PMID： 16491199 DOI： 10.1039/b517030c
Source DB: PubMed Journal: Chem Commun (Camb) ISSN： 1359-7345 Impact factor: 6.222