Nuclear spin-spin coupling in the methane isotopomers
โ Scribed by Jan Geertsen; Jens Oddershede; W.T Raynes; Gustavo E Scuseria
- Publisher
- Elsevier Science
- Year
- 1991
- Weight
- 908 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0022-2364
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๐ SIMILAR VOLUMES
Accurate coupled-cluster calculations reveal that when one of the C-H bonds in the methane molecule is stretched by a small amount from its equilibrium bond length (a) the carbon-proton spin-spin coupling constant involving the nuclei of the stretched bond changes by less than the carbon-proton coup
Molecules with multiple bonds are challenging for computations of nuclear spin-spin coupling constants. Tbis can be referred to the asserted importance of non-contact mechanisms, to sharp geometry variations as well as to the handling of the electronic structure problem. We employ a recently develop
## Abstract As the magnetic fields used in NMR spectrometers become greater, it is expected that a field dependence of nuclear spinโspin coupling will be observed. A part of this, which would be independent of temperature, is due to the contributions of higher terms in the Hamiltonian of the molecu