Opening book details…
Can I read A computational study of the pyrrole⋯CO and pyridine⋯CO complexes on EtoBox?
A computational study of the pyrrole⋯CO and pyridine⋯CO complexes by Terry J. Frankcombe is a Chemistry article available to read on EtoBox.
What is A computational study of the pyrrole⋯CO and pyridine⋯CO complexes about?
PyrroleÁ Á ÁCO and pyridineÁ Á ÁCO van der Waals clusters in various configurations have been studied at the MP2/cc-pVQZ level in order to resolve ambiguity in previous microwave spectroscopy studies. For pyrroleÁ Á ÁCO the previously proposed configuration -with the CO fragment bound to the pyrrole ring -was found to be the most stable. For pyridineÁ Á ÁCO the ''preferred'' planar structure proposed by Bettens and Bauder [R.P.A. Bettens, A. Bauder, J. Chem. Phys. 102 (1995) 1501] was found to be significantly more stable than their competing structure, but two other structure of similar configuration to the pyrroleÁ Á ÁCO cluster were found to be more stable.
Who reads A computational study of the pyrrole⋯CO and pyridine⋯CO complexes?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Terry J. Frankcombe
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0166-1280)
- Published
- 2006
- Language
- EN
- Field
- Chemistry (Physical Sciences)