
%0 Journal Article
%A Gowenlock, BG 
%A Radom, L 
%T Nitrosyl cyanide and related aspects of the ONCN potential surface
%J Australian Journal of Chemistry
%D 1978/11/01
%V 31
%N 11
%P 2349-2353
%K 
%R https://doi.org/10.1071/CH9782349
%U https://www.publish.csiro.au/paper/CH9782349 
%X Ab initio molecular orbital calculations using the restricted Hartree-Fock approach have been carried out for nitrosyl cyanide and related species on the ONCN potential surface. Full geometry optimizations have been performed with the minimal STO-3G and split-valence 4-31G basis sets. Calculated (4-31G) geometries are in good agreement with available experimental data as are the energy changes in the reactions ONCN &#8594; NO + CN and NO + CN &#8594; N2 + CO. Possible mechanisms are discussed. 
