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Theoretical study of the gas-phase thermolysis of 3-methyl-1,2,4,5-tetroxane

✍ Scribed by Profeta, Mariela Inés; Romero, Jorge Marcelo; Jorge, Nelly Lidia; Grand, André; Hernández-Laguna, Alfonso

Book ID
125351000
Publisher
Springer-Verlag
Year
2014
Tongue
English
Weight
988 KB
Volume
20
Category
Article
ISSN
1610-2940

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Experimental and theoretical studies of the vibrational spectra of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane
✍ A. H. Jubert; R. Pis Diez; L. F. R. Cafferata 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 101 KB 👁 1 views

Spectroscopic and theoretical studies of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane are presented. Molecular dynamics calculations were performed to scan the conformational space of the molecule. Density functional calculations were carried out on the stable conformers to obtain a better description of m