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Correlation between the high temperature anomalies in V2O3 and the lattice parameters

✍ Scribed by B. Belbeoch; R. Kleinberger; M. Roulliay


Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
127 KB
Volume
26
Category
Article
ISSN
0038-1098

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πŸ“œ SIMILAR VOLUMES


Correlation between proton transfer and
✍ J.L. AndrΓ©s; M. DurΓ‘n; A. LledΓ³s; J. BertrΓ‘n πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 337 KB

The (H,O,)-and (H,O,)-(H,O), species have been studied by ab initio 4-31G calculations. The solvent parameters have been found to intervene in the reaction coordinate, showing a correlation between the proton-transfer process and the solvent motion.