A method for the accurate measurement of 1H spin-spin coupling constants in large molecules
✍ Scribed by I.D Campbell; C.M Dobson; R.G Ratcliffe; R.J.P Williams
- Publisher
- Elsevier Science
- Year
- 1978
- Weight
- 243 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0022-2364
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## Abstract We present calculations of indirect nuclear spin–spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linear‐scaling techniques in the evaluation of the Coulomb and exchange‐cor
The accurate measurement of small spin-spin coupling constants in macromolecules dissolved in a liquid crystalline phase is important in the context of molecular structure investigation by modern liquid state NMR. A new spin-state-selection filter, DIPSAP, is presented with significantly reduced sen