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The effect of alkali and alkaline-earth cations on the hydrogen-bonded dimer of N-aromatic heterocycles

✍ Scribed by Jumras P. Limtrakul; Michael M. Probst

Book ID
113257239
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
364 KB
Volume
235
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

Effect of small cations on the hydrogen
Effect of small cations on the hydrogen bond between an N-aromatic heterocycle and amine
✍ Jumras P. Limtrakul; Michael BΓ€r; Reinhart Ahlrichs πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 438 KB

The influence of an Li\* ion on the structure and bonding of the H-bond interaction of an N-aromatic heterocycle and a singly bonded N-amine is studied by ab initio SCF calculations with imidazole (Imh) and NH, serving as models of the two families. Full optimization of structures have been carried