✦ LIBER ✦
Ab-initio multireference ci calculations on CH3NO2 confirm earlier preliminary GVB and MCSCF/CI results that HNO2 and CH3NO2 have multiconfiguration ground electronic states even at equilibrium geometry as well as multiconfiguration excited states
✍ Scribed by Cary Chabalowski; P. C. Hariharan; Joyce J. Kaufman; Robert Buenker
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 87 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0020-7608
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