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On the bonding and electronic structure of boronoxygen complexes. AB initio MO-calculations on BH3OH2, (BH2OH)2 and related compounds

✍ Scribed by Even Flood; Odd Gropen


Book ID
108351694
Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
702 KB
Volume
110
Category
Article
ISSN
0022-328X

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📜 SIMILAR VOLUMES


Ab initio MO calculations on the electro
✍ Jan Hrušák; Helmut Schwarz 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 365 KB

Ab initio SCF calculations have been performed to determine the equilibrium geometry of the doubly charged firllerene, Cg . A significant Jahn-Teller distortion is found to be operative. The adiabatic double-ionization energy for the process C&I,) +Cg (DM) is calculated to be IE,,= 18.9 eV, this nu