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Theoretical study of the spectral and structural parameters of van der Waals complexes of the Li+cation with the H2, D2, and T2isotopomers of the hydrogen molecule

โœ Scribed by V. P. Bulychev; K. M. Bulanin; M. O. Bulanin

Book ID
110137948
Publisher
SP MAIK Nauka/Interperiodica
Year
2004
Tongue
English
Weight
142 KB
Volume
96
Category
Article
ISSN
0030-400X

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โœ Wagner B. De Almeida; David A. Baker; Alan Hinchliffe ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 239 KB

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