SCF MO CIICUIXIO~S at the 6.31G\*\* level of approumauon are reporred for 'H and "N eleclrx licld gradients III HCN--HCN. HCN-HF, and CH3CN.m.HF dlmers, wth emphasis on the configurational dependence oi these quantitxs in (HCN),. In compxaon wth available experimental nuclcm qu3drupolar coupling con
Ab initio calculations of the 1H and 14N NMR shielding constants in solid ammonia
✍ Scribed by Karol Jackowski; Andrzej Barszczewicz; Krzysztof Woźniak
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 362 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0926-2040
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