Fully ab initio investigation of bound and predissociating states of the NeOH( X ) complex
New ab initio potential energy surfaces (PESs) are reported for the interaction of Ne(1S0) with the OH radical in its ground (X 2Π) electronic state. These are then used in the variational calculation of the bound vibrational states of the NeOH(X) complex. The calculated dissociation energy (D0) is...
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| Veröffentlicht in: | The Journal of chemical physics 1995-09, Vol.103 (9), p.3400-3417 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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