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Hydrogen bonding in linear (LiH)2

✍ Scribed by Jacek Rychlewski; John R. Sabin


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
317 KB
Volume
37
Category
Article
ISSN
0009-2614

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✦ Synopsis


Ab initio LCAO MO SCF calculations are reported on the linear form of LiH dimer. The prcperties and structure of the Li-H-Li linkage xe discussed in the light of hydrogen bonding.


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Hydrogen bonding is qualitatively accounted for in the early versions of the MM2 program, but not quantitatively. Experimentally, the hydrogen bonds are somewhat shorter and stronger than calculated by MM2. This has been corrected now in MM2(87), by reducing the van der Waals radius of the hydrogen