First adiabatic and vertical ionization energies were calculated by the density functional method using Becke's correlated functional for water, ammonia, the silyl radical, fivemembered heterocycles, and naphtalene. The structure of the ionic ground state and that of the neutral was optimized separa
✦ LIBER ✦
Density Functional Calculation of the Photoelectron Emission Spectra of BiSCl Crystal and Molecular Clusters
✍ Scribed by A. Audzijonis; L. Žigas; G. Gaigalas; R. Sereika; B. Žygaitienė
- Book ID
- 106406505
- Publisher
- Springer
- Year
- 2010
- Tongue
- English
- Weight
- 573 KB
- Volume
- 21
- Category
- Article
- ISSN
- 1040-7278
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