Ab initio calculations have be-n carried out on the fLst uld second IA" states of HCN usin,o relatively large and flexible basis sets The predicted geometries have been compared with the experimental results of Hemberg 2nd Innes and with earlier calculations on HCN. These calculations concur Mth ear
The geometry of the X̃2A1 state of PF3+: experiment and theory
✍ Scribed by R.P. Tuckett; P.J. Knowles
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 631 KB
- Volume
- 261
- Category
- Article
- ISSN
- 0009-2614
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