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Ab initio calculations of the structure and stability of the LiBe2H5 complex molecule

โœ Scribed by Yu.B. Kirillov; A.I. Boldyrev; N.M. Klimenko; O.P. Charkin


Book ID
107732713
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
483 KB
Volume
84
Category
Article
ISSN
0009-2614

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Ab initio calculations of the stability
โœ O.P. Bugaets; D.A. Zhogolev ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 365 KB

Some fragments of the NH: potential surface have be.=n calculated by the SCF MO LCAO method using a basis of linear combinations of gaussian lobe functions. The NH; ion was found to be stable against dissociation into NH3 and H; or NH; and Hz. Its stability with respect to decomposition into NH; and