Activation of Propane C-H and C-C Bonds by Gas-Phase Pt Atom: A Theoretical Study
The reaction mechanism of the gas-phase Pt atom with C<sub>3</sub>H<sub>8</sub> has been systematically investigated on the singlet and triplet potential energy surfaces at CCSD(T)//BPW91/6-311++G(d, p), Lanl2dz level. Pt atom prefers the attac...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2012-07-01
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| Series: | International Journal of Molecular Sciences |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1422-0067/13/7/9278 |