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Hydrothermal synthesis and characterization of “LixV2 − δO4 − δH2O”

✍ Scribed by Thomas Chirayil; Peter Zavalij; M.Stanley Whittingham


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
580 KB
Volume
84
Category
Article
ISSN
0167-2738

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Rh2(O2CR)4(H2O)+2: theoretical confirmat
✍ Pierre Mougenot; Jean Demuynck; Marc Bénard 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 414 KB

Ab initio SCF/CI calculations on Rh2(02CH)4(H20)2+ indicate that the odd electron is accommodated in the quasi-degenerate x&,\_~~ orbital, in agreement with a recent analysis of the ESR spectrum. The failure of previous theoretical treatments is attributed to the artificially delocalized description