Calculation of the electronic structure of the urea molecule and its protonated cations
β Scribed by Yu. A. Panteleev; A. A. Lipovskii
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1976
- Tongue
- English
- Weight
- 321 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0022-4766
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## NOTE On the Electronic Structure of FeF and Its Cations Recently, iron monofluoride has been investigated both theoretically (1) and experimentally (2). In a high level ab initio study, Bauschlicher (1) confirmed that the ground state of the molecule should be a 6 D (rr[1d 3 4p 2 9s]10s) electr
Mass-spectrometric experiments were combined with ab 49.5 kcal mol -1 and 64.2 kcal mol -1 , respectively. Adiabatic ionization of 2 (IE a = 9.15 eV) yields 2 β’+ , which is 21.4 kcal initio calculations to explore the cationic and neutral [H 3 ,N,O] β’+/0 potential energy surfaces and relevant anioni