Hyperfine interaction involving hydrogen-bond protons in complexes of radicals with ligands
β Scribed by A. S. Kabankin; G. M. Zhidomirov; A. L. Buchachenko
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1972
- Tongue
- English
- Weight
- 361 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0022-4766
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## Abstract __The lithiumβ and hydrogenβbonded complex of HLiο£ΏNCHο£ΏNCH is studied with ab initio calculations. The optimized structure, vibrational frequencies, and binding energy are calculated at the MP2 level with 6β311++G(2d,2p) basis set. The interplay between lithium bonding and hydrogen bondi