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The thermal rearrangement of methylenecyclobutane. An exploration of the potential surface

โœ Scribed by Schoeller, Wolfgang W.


Book ID
127032109
Publisher
American Chemical Society
Year
1977
Tongue
English
Weight
676 KB
Volume
99
Category
Article
ISSN
0002-7863

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An improved potential energy surface for
โœ William C. Necoechea; Donald G. Truhlar ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 467 KB

We report a new potential energy surface for the (HF) 2 van der Waals molecule and quantum mechanical nine-dimensional eigenvalue calculations of vibrational energy levels on this surface. The new surface has been adjusted to give an accurate tunneling splitting but is otherwise based on the SQSBDE