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2007 Journal Article An NMR, IR and theoretical investigation of 1H Chemical Shifts and hydrogen bonding in phenolsAbraham, Raymond J. and Mobli, Mehdi (2007). An NMR, IR and theoretical investigation of 1H Chemical Shifts and hydrogen bonding in phenols. Magnetic resonance in chemistry, 45 (10), 865-877. doi: 10.1002/mrc.2060 |
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2007 Journal Article An automated tool for maximum entropy reconstruction of biomolecular NMR spectraMobli, Mehdi, Maciejewski, Mark W., Gryk, Michael R. and Hoch, Jeffrey C. (2007). An automated tool for maximum entropy reconstruction of biomolecular NMR spectra. Nature Methods, 4 (6), 467-468. doi: 10.1038/nmeth0607-467 |
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2007 Journal Article N-Acetylated amino sugars: the dependence of NMR 3J(HNH2)-couplings on conformation, dynamics and solventMobli, Mehdi and Almond, Andrew (2007). N-Acetylated amino sugars: the dependence of NMR 3J(HNH2)-couplings on conformation, dynamics and solvent. Organic and biomolecular chemistry, 5 (14), 2243-2251. doi: 10.1039/b705761j |
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2006 Journal Article Spectral reconstruction methods in fast NMR: Reduced dimensionality, random sampling and maximum entropyMobli, Mehdi, Stern, Alan S. and Hoch, Jeffrey C. (2006). Spectral reconstruction methods in fast NMR: Reduced dimensionality, random sampling and maximum entropy. Journal of magnetic resonance, 182 (1), 96-105. doi: 10.1016/j.jmr.2006.06.007 |
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2006 Journal Article Three-Dimensional 13C-Detected CH3-TOCSY Using Selectively Protonated Proteins: Facile Methyl Resonance Assignment and Protein Structure DeterminationJordan, John B., Kovacs, Helena, Wang, Yuefeng, Mobli, Mehdi, Luo, Rensheng, Anklin, Clemens, Hoch, Jeffrey C. and Kriwacki, Richard W. (2006). Three-Dimensional 13C-Detected CH3-TOCSY Using Selectively Protonated Proteins: Facile Methyl Resonance Assignment and Protein Structure Determination. Journal of the American Chemical Society, 128 (28), 9119-9128. doi: 10.1021/ja058587a |
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2006 Journal Article Conformational analysis, Part 41. A modelling and LIS/NMR investigation of the conformations of ,alpa and beta -unsaturated carbonyl compoundsAbraham, Raymond J., Mobli, Mehdi, Ratti, Joyce, Sancassan, Fernando and Smith, Timothy A. D. (2006). Conformational analysis, Part 41. A modelling and LIS/NMR investigation of the conformations of ,alpa and beta -unsaturated carbonyl compounds. Journal of physical organic chemistry, 19 (6), 384-392. doi: 10.1002/poc.1092 |
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2005 Journal Article Quantum vs. classical models of the nitro group for proton chemical shift calculations and conformational analysisMobli, Mehdi and Abraham, Raymond J. (2005). Quantum vs. classical models of the nitro group for proton chemical shift calculations and conformational analysis. Journal of Computational Chemistry, 26 (4), 389-398. doi: 10.1002/jcc.20177 |
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2005 Journal Article H chemical shifts in NMR. Part 21 - Prediction of the 1H chemical shifts of molecules containing the ester group: a modelling and ab initio investigationAbraham, Raymond J., Bardsley, Ben, Mobli, Mehdi and Smith, Richard J. (2005). H chemical shifts in NMR. Part 21 - Prediction of the 1H chemical shifts of molecules containing the ester group: a modelling and ab initio investigation. Magnetic Resonance in Chemistry, 43 (1), 3-15. doi: 10.1002/mrc.1491 |
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2004 Journal Article The prediction of 1H NMR chemical shifts in organic compoundsAbraham, Raymond J. and Mobli, Mehdi (2004). The prediction of 1H NMR chemical shifts in organic compounds. Spectroscopy Europe, 16 (4) |
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2004 Journal Article 1H chemical shifts in NMR. Part 20 - Anisotropic and steric effects in halogen substituent chemical shifts (SCS), a modelling and ab initio investigationAbraham, Raymond J., Mobli, Mehdi and Smith, Richard J. (2004). 1H chemical shifts in NMR. Part 20 - Anisotropic and steric effects in halogen substituent chemical shifts (SCS), a modelling and ab initio investigation. Magnetic resonance in chemistry, 42 (5), 436-444. doi: 10.1002/mrc.1369 |
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2003 Journal Article 1H chemical shifts in NMR: Part 19. Carbonyl anisotropies and steric effects in aromatic aldehydes and ketonesAbraham, Raymond J., Mobli, Medhi and Smith, Richard J. (2003). 1H chemical shifts in NMR: Part 19. Carbonyl anisotropies and steric effects in aromatic aldehydes and ketones. Magnetic Resonance in Chemistry, 41 (1), 26-36. doi: 10.1002/mrc.1125 |
