6H9S+ and C5H7S+ ions from ab initio calculations



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Eur. J. Mass Spectrom. 3, 400 - 402 (1997)

Letter: Theoretical study of the structures of C6H9S+ and C5H7S+ ions from ab initio calculations

C. Pepe* and H. Sayer
Laboratoire de Spectrochimie Moléculaire, Université Pierre et Marie Curie, 4 Place Jussieu, case 49, 75252 Paris Cedex 05, France.
J. Dagaut
Laboratoire de Physique et Chimie Marines, Université Pierre et Marie Curie, 4 Place Jussieu, case 134, 75252 Paris Cedex 5, France.

ABSTRACT:
No abstract available

Keywords: double bonds, cyclic thioether, stability of fragment ions, ab initio calculations, density functional theory.


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