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An analysis of the partition of the molecular space in the SCF-MS-Xα method: Calculations of the valence ionization potentials of SiH3F and SiH2F2

✍ Scribed by Giancarlo Alti; Piero Decleva; Antonio Sgamellotti


Publisher
Springer
Year
1978
Tongue
English
Weight
237 KB
Volume
50
Category
Article
ISSN
1432-2234

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Calculations of potential barriers using
✍ Ulf Wahlgren 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 525 KB

Calculations of barriers and conformations using the SCF XCY SW method are discussed. Results of calculations of the inve+m barrier in ammonia and the barrier to internal ratation oi hydrogen peroxide using different sets of sphere radii are also prescnteci and discussed. These barriers arc heavily