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Theoretical study of structural and energy parameters of the van der Waals complex of the Li+cation with the N2molecule

✍ Scribed by K. M. Bulanin; V. P. Bulychev; M. N. Ryazantsev


Book ID
110175846
Publisher
SP MAIK Nauka/Interperiodica
Year
2008
Tongue
English
Weight
254 KB
Volume
105
Category
Article
ISSN
0030-400X

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The molecular structure of the weakly bound binary complexes between the N2 and CIF monomeric species have been calculated with the ab initio MO method including electron correlation effects at the second-order Meller-Plesset perturbation theory level employing the STO/6-31 + G\* basis set. Geometri