Hodgkinson, Paul - Durham University - Department of Chemistry

研究领域

Solid-state NMR (theory and applications) Dynamics in the Solid State NMR Crystallography

近期论文

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Abraham, A., Apperley, D. C., Byard, S. J., Ilott, A. J., Robbins, A. J., Zorin, V., Harris, R. K. & Hodgkinson, P. (2016). Characterising the role of water in sildenafil citrate by NMR crystallography. CrystEngComm 18(6): 1054-1063. Skotnicki, M., Apperley, D. C., Aguilar, J. A., Milanowski, B., Pyda, M. & Hodgkinson, P. (2016). Characterization of Two Distinct Amorphous Forms of Valsartan by Solid-State NMR. Molecular Pharmaceutics 13(1): 211-222. Dra?ínsky, Martin, Bour, Petr & Hodgkinson, Paul (2016). Temperature Dependence of NMR Parameters Calculated from Path Integral Molecular Dynamics Simulations. Journal of Chemical Theory and Computation 12(3): 968-973. Kerr, Hannah E., Softley, Lorna K., Kuthuru, Suresh, Nangia, Ashwini, Hodgkinson, Paul & Evans, Ivana Radosavljevic (2015). A furosemide – isonicotinamide cocrystal: An investigation of properties and extensive structural disorder. CrystEngComm 17(35): 6707-6715. Skotnicki, Marcin, Aguilar, Juan A., Pyda, Marek & Hodgkinson, Paul (2015). Bisoprolol and Bisoprolol-Valsartan Compatibility Studied by Differential Scanning Calorimetry, Nuclear Magnetic Resonance and X-Ray Powder Diffractometry. Pharmaceutical Research 32(2): 414-429. Dra?ínsky, M., ?echová, L., Hodgkinson, P., Procházková, E. & Janeba, Z. (2015). Resonance-assisted stabilisation of hydrogen bonds probed by NMR spectroscopy and path integral molecular dynamics. Chemical Communications 51(73): 13986-13989. Frantsuzov, Ilya, Ernst, Matthias, Brown, Steven P. & Hodgkinson, Paul (2015). Simulating spin dynamics in organic solids under heteronuclear decoupling. Solid State Nuclear Magnetic Resonance 70: 28-37. Bērzi??, A. & Hodgkinson, P. (2015). Solid-state NMR and computational investigation of solvent molecule arrangement and dynamics in isostructural solvates of droperidol. Solid State Nuclear Magnetic Resonance 65: 12-20. Dra?ínsky, Martin & Hodgkinson, Paul (2015). Solid-state NMR studies of nucleic acid components. RSC Advances 5(16): 12300-12310. Dra?ínsky, M, ?ála, M & Hodgkinson, P (2014). Dynamics of water molecules and sodium ions in solid hydrates of nucleotides. CrystEngComm 16(29): 6756-6764. Dra?ínsky, Martin & Hodgkinson, Paul (2014). Effects of Quantum Nuclear Delocalisation on NMR Parameters from Path Integral Molecular Dynamics. Chemistry - A European Journal 20(8): 2201-2207. Dra?ínsky, Martin & Hodgkinson, Paul (2013). A molecular dynamics study of the effects of fast molecular motions on solid-state NMR parameters. CrystEngComm 15(43): 8705-8712. Apperley, D.C., Markwell, A.F., Frantsuzov, I., Ilott, A.J., Harris, R.K. & Hodgkinson, P. (2013). NMR characterisation of dynamics in solvates and desolvates of formoterol fumarate. Physical Chemistry Chemical Physics 15(17): 6422-6430. Ilott, Andrew J., Palucha, Sebastian, Hodgkinson, Paul & Wilson, Mark R. (2013). Well-Tempered Metadynamics as a Tool for Characterizing Multi-Component, Crystalline Molecular Machines. Journal of Physical Chemistry B 117(40): 12286-12295. Byard, Stephen, Abraham, Anuji, Boulton, Paul J. T., Harris, Robin K. & Hodgkinson, Paul (2012). A multi-technique approach to the study of structural stability and desolvation of two unusual channel hydrate solvates of finasteride. Journal of Pharmaceutical Sciences 101(1): 176-186. Apperley, David C., Batsanov, Andrei S., Clark, Stewart J., Harris, Robin K., Hodgkinson, Paul & Jochym, Dominik B. (2012). Computation of magnetic shielding to simultaneously validate a crystal structure and assign a solid-state NMR spectrum. Journal of Molecular Structure 1015: 192-201. Kleeberg, Christian, Crawford, Andrew G., Batsanov, Andrei S., Hodgkinson, Paul, Apperley, David C., Cheung, Man Sing, Lin, Zhenyang & Marder, Todd B. (2012). Spectroscopic and Structural Characterization of the CyNHC Adduct of B(2)pin(2) in Solution and in the Solid State. JOURNAL OF ORGANIC CHEMISTRY 77(1): 785-789. Tatton, AS, Frantsuzov, I, Brown, SP & Hodgkinson, P (2012). Unexpected effects of third-order cross-terms in heteronuclear spin systems under simultaneous radio-frequency irradiation and magic-angle spinning NMR. The Journal of Chemical Physics 136(8): 084503. Ilott, AJ Palucha, S, Batsanov, AS , Harris, KDM Hodgkinson, P & Wilson, MR (2011). Structural Properties of Carboxylic Acid Dimers Confined within the Urea Tunnel Structure: An MD Simulation Study. The Journal of Physical Chemistry B 115(12): 2791–2800. Barrow, Nathan S., Yates, Jonathan R., Feller, Steven A., Holland, Diane, Ashbrook, Sharon E., Hodgkinson, Paul & Brown, Steven P. (2011). Towards homonuclear J solid-state NMR correlation experiments for half-integer quadrupolar nuclei: experimental and simulated B-11 MAS spin-echo dephasing and calculated (2)J(BB) coupling constants for lithium diborate. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13(13): 5778-5789.