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Experimental and theoretical investigation of the A 3 P – X 3 R transition of NH / D –
| Content Provider | Semantic Scholar |
|---|---|
| Author | Kerenskaya, Ne Galina Schnupf, Udo Heaven, Michael C. Groenenboom, Gerrit C. |
| Copyright Year | 2005 |
| Abstract | A study of NH/D–Ne was undertaken to investigate the structure of this complex and examine the ability of high-level theoretical methods to predict its properties. The A P–X S transition was characterized using laser induced fluorescence measurements. Results from theoretical calculations were used to guide the interpretation of the spectra. Two-dimensional potential energy surfaces were calculated using second-order multireference perturbation theory with large correlation consistent basis sets. The potential energy surfaces were used to predict the ro-vibronic structure of the A–X system. Calculated ro-vibronic energy level patterns could be recognized in the spectra but quantitative discrepancies were found. These discrepancies are attributed to incomplete recovery of the dynamical correlation energy. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://repository.ubn.ru.nl/bitstream/handle/2066/32489/32489.pdf?sequence=1 |
| Alternate Webpage(s) | https://repository.ubn.ru.nl/bitstream/handle/2066/32489/32489.pdf?sequence=1 |
| Alternate Webpage(s) | http://www.theochem.ru.nl/files/dbase/pccp-7-846-2005.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |