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Quantum-chemical study on thermal transformations of urea in ethylene glycol

✍ Scribed by Samuilov, A. Ya.; Valeev, A. R.; Balabanova, F. B.; Samuilov, Ya. D.; Konovalov, A. I.


Book ID
120358432
Publisher
SP MAIK Nauka/Interperiodica
Year
2013
Tongue
English
Weight
352 KB
Volume
49
Category
Article
ISSN
1070-4280

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## Abstract Thermal decomposition of cyclopentadiene to __c__‐C~5~H~5~ (cyclopentadienyl radical) + H (1) and the reverse bimolecular reaction (βˆ’1) are studied quantum‐chemically at the G2M level of theory. The dissociation pathway has been mapped out following the minimum energy path on the potent