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Applicability of the SCF-Xα-SW method to the calculation of the ionization potentials of the core levels of the molecules SF6, H2S, and SO2

✍ Scribed by S. A. Prosandeev; A. P. Kovtun; R. V. Vedrinskii

Publisher
SP MAIK Nauka/Interperiodica
Year
1980
Tongue
English
Weight
149 KB
Volume
20
Category
Article
ISSN
0022-4766

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Calculations of potential barriers using
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✍ 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