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Ab Initio Studies of the Glyoxal Unimolecular Dissociation Pathways †

✍ Scribed by Koch, Denise M.; Khieu, Nam Huan; Peslherbe, Gilles H.

Book ID
120633010
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
76 KB
Volume
105
Category
Article
ISSN
1089-5639

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✍ Larry E. Nitzsche; Ernest R. Davidson 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 371 KB

## Results of ab initio calculations on the %r\* states of glyoxal and methyl gIyoxal are reported\_ The symmetry unconstraixd A-!&F transition energies, unlike the symmetry constrained results, are found to be very similar. These calcuhitions explain some anomalies which have appeared in the lite