Li2
		Lithium
	Nuclear Quadrupole Coupling Constants
		in Lithium Molecule
	As the "adjacent" atom is Li for which "aug" is not defined, calculation of the nqcc was made with the mPW1PW91/ cc-pVQZ (EMSL) model with eQeff/h = -7.374(30) MHz/a.u.  The RSD for this model is 0.0040 MHz.
	Table 1. Lithium nqcc's in Li2 (MHz).     Calc. Expt. [1]     7Li eQqo 0.0348 0.060
	Bond Length, re = 2.6729 Å [2]
	[1] R.A.Logan, R.E.Cote, W.Klemperer, Phys.Rev. 86,280(1952).
	[2] K.P.Huber and G.Herzberg, Molecular Spectra and Molecular Structure (Van Nostrand Reinhold, New York, 1979) Vol. 4.
	LiH		LiF		LiCl		LiBr
	LiNC		LiOH		LiBH4
	Table of Contents
	Molecules/Lithium
						Li2.html
						Last Modified 6 Dec 2004