The nuclear magnetic double resonance spectrum of ammonia: An unusual “contraction”
✍ Scribed by Mary A Dugan; Jay Martin Anderson
- Publisher
- Elsevier Science
- Year
- 1977
- Weight
- 176 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0022-2364
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We present a complete ab initio nuclear magnetic resonance spectrum. All parameters in the spin Hamiltonian have been determined from a single restricted active space (RAS) multiconfigurational self-consistent field (MCSCF) wavefunction. All contributions to the indirect nuclear spin-spin coupling c
The two C-4 protons of reduced nicotinamide adenine dinucleotide (NADH) produce an AB NMR spectrum at 100 MHz as well as at 220 MHz. This observation allows an upper limit of 50 sec-l to be placed on the mean rate of interconversion of the two folded forms of NADH invoked to account for the magnetic