The direct method for calculating high-resolution nuclear magnetic resonance spectra
作者： Gerhard Binsch
DOI: 10.1080/00268976800101371
关键词:
摘要: A method for calculating unsaturated slow-passage N.M.R. spectra is presented which differs from conventional procedures in that no energy levels and wavefunctions have to be computed explicit line-shape function need specified. It shown, by developing the theory Liouville representation of quantum mechanics rather than Hilbert space representation, it possible compress total information content an spectrum into two complex vectors, a radiofrequency-independent ‘shape vector’ ‘spectral trivially simple radiofrequency. The absorption obtained as negative real part scalar product these vectors. may regarded extension super-operator formalism Banwell Primas.
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