Density functional theory calculations of hydrogen-bond-mediated NMR J coupling in the solid state.
A recently developed method for calculating NMR J coupling in solid-state systems is applied to calculate hydrogen-bond-mediated (2h) J NN couplings across intra- or intermolecular N-H...N hydrogen bonds in two 6-aminofulvene-1-aldimine derivatives and the ribbon structure formed by a deoxyguanosine...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2008
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