Lithium bonding interaction in H[sub 2]CY...LiF (Y=O,S) complexes: A theoretical probe

Ammal, S. Salai Cheettu; Venuvanalignam, P.; Pal, Sourav
September 1997
Journal of Chemical Physics;9/15/1997, Vol. 107 Issue 11, p4329
Academic Journal
Applies ab initio calculations to examine the lithium bonding interaction at chemical complexes. Effect of correlation on complex binding energies; Correction of binding energies for basis set superposition error; Frequency calculations confirming the stable forms of the complexes.


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