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Spatial structure of myelopeptides: II. Conformational analysis of MP-4, MP-5, and MP-6

✍ Scribed by L. I. Ismailova; N. A. Akhmedov; R. M. Abbasli; N. M. Godjaev


Book ID
106519291
Publisher
SP MAIK Nauka/Interperiodica
Year
2005
Tongue
English
Weight
78 KB
Volume
31
Category
Article
ISSN
1068-1620

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The geometry and vibrational spectrum of TeCl was calculated with 4 w Ž . various quantum chemical methods Hartree᎐Fock, second-order Møller-Plesset MP2 Ž . x and generalized gradient approximation density functional theory GGA-DFT . Five different basis-set combinations were tested: the relativisti