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On the dioximine complexes of transition metals. LXXVIII1TG and DTA study of the thermal decomposition of some complexes M[Co(DH)2XY] and [Co(DH)2(H2O)X]

✍ Scribed by Cs. Várhelyi; J. Zsakó; G. Liptay; Z. Finta


Publisher
Springer Netherlands
Year
1987
Tongue
English
Weight
490 KB
Volume
32
Category
Article
ISSN
0022-5215

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Quantum mechanical ab initio calculations at the MP2 and CCSD(T) level of theory have been used to investigate the geometries and bond energies of the complexes M(CO) 6±x (H 2 ) x (M = Cr, Mo, W; x = 1, 2, 3). The theoretically predicted M(CO) 5 ±(H 2 ) bond dissociation energies are in excellent ag