An ab initio calculation of the dissociation C2H2(1Σ+) → C2H(2Σ+) + H(2S) |
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| Authors: | Stefano Polezzo Mario Raimondi Massimo Simonetta |
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| Affiliation: | 1. Centro C.N.R. “Relazioni fra struttura e reattività chimica”, via Golgi 19, Milano, Italy
2. Istituto di Chimica Fisica, Università di Milano, via Golgi 19, Milano, Italy
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| Abstract: | The collinear dissociation of acetylene to C2H and H is studied by a generalized self-consistent procedure. The dissociation energy, the C-H force constant and stretching frequency are computed. |
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