Does Prop-2-ynylideneamine, HC≡CCH=NH, Exist in Space? A Theoretical and Computational Investigation

MP2, DFT and CCSD methods with 6-311++G** and aug-cc-pvdz basis sets have been used to probe the structural changes and relative energies of E-prop-2-ynylideneamine (I), Z-prop-2-ynylideneamine (II), prop-1,2-diene-1-imine (III) and vinyl cyanide (IV). The energy near-equivalence and provenance of p...

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Detalles Bibliográficos
Autores principales: Osman, Osman I., Elroby, Shaaban A., Aziz, Saadullah G., Hilal, Rifaat H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4100199/
https://www.ncbi.nlm.nih.gov/pubmed/24950178
http://dx.doi.org/10.3390/ijms150611064

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4100199/
https://www.ncbi.nlm.nih.gov/pubmed/24950178
http://dx.doi.org/10.3390/ijms150611064

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