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Full-Text Articles in Inorganic Chemistry
Thermal Decomposition Of Silane, Mark S. Gordon, David R. Gano, J. Stephen Binkley, Michael J. Frisch
Thermal Decomposition Of Silane, Mark S. Gordon, David R. Gano, J. Stephen Binkley, Michael J. Frisch
Mark S. Gordon
The essential features of the potential energy surface for the thermal decomposition of silane have been calculated with extended basis sets, augmented by correlation corrections. It is predicted that the transition state for the molecular elimination lies 56.9 kcaljmol above silane. For the reverse reaction, the transition state is less than 2 kcal/mol above the separated fragments, silylene and molecular hydrogen, but 4.8 kcal/mol above a long-range potential well. In the latter, the silylene-H2 separation is 1.78 A, and the bond in H2 has stretched by more than 0.05 A. This indicates a significant electronic interaction between the fragments even …
Peroxo Complexes Of Vanadium(V) And Molybdenum(Vi) With Nicotine And Aspartic Acids, Sandra Jean Sheffield
Peroxo Complexes Of Vanadium(V) And Molybdenum(Vi) With Nicotine And Aspartic Acids, Sandra Jean Sheffield
Dissertations, Theses, and Masters Projects
No abstract provided.
Peroxo Complexes Of Molybdenum (Vi) And Vanadium (V) With Imidazole And Histidine, Jennifer Lisa Gundersen
Peroxo Complexes Of Molybdenum (Vi) And Vanadium (V) With Imidazole And Histidine, Jennifer Lisa Gundersen
Dissertations, Theses, and Masters Projects
No abstract provided.