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 calculation of isotope effects in IR and NMR spectroscopy of H-bonded systems
β Scribed by R. Janoschek
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 562 KB
- Volume
- 321
- Category
- Article
- ISSN
- 0022-2860
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