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pro vyhledávání: '"35"'
Autor:
Ann E. McDermott, Justin L. Lorieau
Publikováno v:
Journal of the American Chemical Society. 128:11505-11512
The majority of protein structures are determined in the crystalline state, yet few methods exist for the characterization of dynamics for crystalline biomolecules. Solid-state NMR can be used to probe detailed dynamic information in crystalline biom
Publikováno v:
Journal of the American Chemical Society. 123:4826-4833
We investigate the effects of zero-point vibrational motion on the nuclear magnetic shielding constants of a large number of organic molecules. The vibrational corrections include anharmonic contributions from the potential energy surface and harmoni
Publikováno v:
Journal of the American Chemical Society. 123(11)
We present a quantum chemical ab initio study which demonstrates a new combined experimental and theoretical approach, whereby a comparison of calculated and experimental (1)H NMR chemical shifts allows the elucidation of structural arrangements in s