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Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: a combined computational and experimental investigation of NMR chemical shifts in the solid state.
Uldry AC, Griffin JM, Yates JR, Pérez-Torralba M, María MD, Webber AL, Beaumont ML, Samoson A, Claramunt RM, Pickard CJ, Brown SP. Uldry AC, et al. Among authors: pickard cj. J Am Chem Soc. 2008 Jan 23;130(3):945-54. doi: 10.1021/ja075892i. Epub 2008 Jan 1. J Am Chem Soc. 2008. PMID: 18166050
Time averaging of NMR chemical shifts in the MLF peptide in the solid state.
De Gortari I, Portella G, Salvatella X, Bajaj VS, van der Wel PC, Yates JR, Segall MD, Pickard CJ, Payne MC, Vendruscolo M. De Gortari I, et al. Among authors: pickard cj. J Am Chem Soc. 2010 May 5;132(17):5993-6000. doi: 10.1021/ja9062629. J Am Chem Soc. 2010. PMID: 20387894
Complete (1)H resonance assignment of beta-maltose from (1)H-(1)H DQ-SQ CRAMPS and (1)H (DQ-DUMBO)-(13)C SQ refocused INEPT 2D solid-state NMR spectra and first principles GIPAW calculations.
Webber AL, Elena B, Griffin JM, Yates JR, Pham TN, Mauri F, Pickard CJ, Gil AM, Stein R, Lesage A, Emsley L, Brown SP. Webber AL, et al. Among authors: pickard cj. Phys Chem Chem Phys. 2010 Jul 14;12(26):6970-83. doi: 10.1039/c001290d. Epub 2010 May 18. Phys Chem Chem Phys. 2010. PMID: 20480118
187 results