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MNDOC Calculations of the Potential Surfaces for Photochemical α-Cleavage

✍ Scribed by Dipl.-Chem. Manfred Reinsch; Dr. Udo Höweler; Prof. Dr. Martin Klessinger

Book ID
102726300
Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
738 KB
Volume
26
Category
Article
ISSN
0044-8249

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✍ Joseph J. Belbruno 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 170 KB 👁 2 views

Ab initio calculations, including electron correlation, were employed to compute the geometries and energies of all stable C 2 H 4 O species, as well as four transition states along the potential surfaces connecting oxirane to the unimolecular dissociation products. The calculations indicate that th