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Study of the spin-Hamiltonian of [MX4]2- Jahn-Teller complexes on the basis of M.O. theory

✍ Scribed by M. Moreno; M.T. Barriuso


Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
264 KB
Volume
17
Category
Article
ISSN
0038-1098

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Theoretical study on isomerization of M2
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Potential energy surhccs of B,H.,, AlBH4, &Ha and E12r4, AlElT4, A12F4 wcrc calcuhtcd ab null0 usmg doublczctd basis sets. Unhke B2F4 with a symmetric;71 covalent structure X,B-BXp, the salt-hkc struti rlrc hlt[hlX4]-appcara lo bc xl-VantagCoUs [or AIBX, and A12&, although the symmctricllX2M-hlX2 an