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Quantum-chemical study of reaction routes and centers in the interaction of propylene with an oxide catalyst surface

โœ Scribed by A.P. Zeif; V.D. Sokolovskii


Publisher
Elsevier Science
Year
1980
Weight
674 KB
Volume
9
Category
Article
ISSN
0304-5102

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## Calculations on the thermochemistry of reactions between NH,' ions and EtHgX molecules (X = C1, Br, I) were performed by the MNDO method. The calculations showed the p i b l e existence of two stable isomers of composition [ EtHgX, NH, 1 + namely [ EtHgX -.HNH, 1 + and [ EtHg(NH,)XH I +. Proton