SCF molecular orbital calculations using INDO method have been performed for dimethyl nitroxide (DMNO)-methanol and DMNO-acetylene hydrogen bond systems. Negative spin densiw on the hydroql proton of methanol which has been confirmed by our previous NBIR studies was reproduced only for the model whe
Molecular orbital studies of the NMR hydrogen bond shift
โ Scribed by Robert Ditchfield; Ross E. McKinney Jr.
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 833 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0301-0104
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