The Library
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Number of items: 9.
2020
Webber, Amy L., Yates, Jonathan R., Zilka, Miri, Sturniolo, Simone, Uldry, Anne-Christine, Corlett, Emily K., Pickard, Chris J., Pérez-Torralba, Marta, Garcia, M. Angeles, Santa María, D., Claramunt, Rosa M. and Brown, Steven P. (2020) Data for Weak intermolecular CH···N hydrogen bonding : determination of 13CH-15N hydrogen-bond mediated J couplings by solid-state NMR spectroscopy and first-principles calculations. [Dataset]
Webber, Amy L., Yates, Jonathan R., Zilka, Miri, Sturniolo, Simone, Uldry, Anne-Christine, Corlett, Emily K., Pickard, Chris J., Pérez-Torralba, Marta, Angeles Garcia, Maria, Santa Maria, Dolores, Claramunt, Rosa M. and Brown, Steven P. (2020) Weak intermolecular CH···N hydrogen bonding : determination of 13CH-15N hydrogen-bond mediated J couplings by solid-state NMR spectroscopy and first-principles calculations. The Journal of Physical Chemistry A, 124 (3). pp. 560-572. doi:10.1021/acs.jpca.9b10726 ISSN 1089-5639.
2019
Zilka, Miri, Yates, Jonathan R. and Brown, Steven P. (2019) An NMR crystallography investigation of furosemide. Magnetic Resonance in Chemistry, 57 (5). pp. 191-199. doi:10.1002/mrc.4789 ISSN 0749-1581.
Thureau, Pierre, Sturniolo, Simone, Zilka, Miri, Ziarelli, Fabio, Viel, Stéphane, Yates, Jonathan R. and Mollica, Giulia (2019) Reducing the computational cost of NMR crystallography of organic powders at natural isotopic abundance with the help of 13 C-13 C dipolar couplings. Magnetic Resonance in Chemistry, 57 (5). pp. 256-264. doi:10.1002/mrc.4848 ISSN 0749-1581.
2018
Zilka, Miri, Yates, Jonathan R. and Brown, Steven P. (2018) Data for An NMR crystallography investigation of furosemide. [Dataset]
2017
Zilka, Miri, Dudenko, Dmytro V., Hughes, Colan E., Williams, P. Andrew, Sturniolo, Simone, Franks, W. Trent, Pickard, Chris J., Yates, Jonathan R., Harris, Kenneth D. M. and Brown, Steven P. (2017) Ab-initio random structure searching of organic molecular solids : assessment and validation against experimental data. Physical Chemistry Chemical Physics, 19 (38). 25949-25960 . doi:10.1039/C7CP04186A ISSN 1463-9076.
Zilka, Miri, Dudenko, Dmytro V., Hughes, Colan E., Williams, P. Andrew, Sturniolo, Simone, Franks, W. Trent, Pickard, Chris J., Yates, Jonathan R., Harris, Kenneth D. M. and Brown, Steven P. (2017) Data for Ab-Initio random structure searching of organic molecular solids: assessment and validation against experimental data. [Dataset]
Zilka, Miri (2017) Integrating calculation and experiment : developing processes and tools for NMR crystallography of organic solids. PhD thesis, University of Warwick.
2016
Sturniolo, Simone, Green, Timothy F.G., Hanson, Robert M., Zilka, Miri, Refson, Keith, Hodgkinson, Paul, Brown, Steven P. and Yates, Jonathan R. (2016) Visualization and processing of computed solid-state NMR parameters : MagresView and MagresPython. Solid State Nuclear Magnetic Resonance, 78 . pp. 64-70. doi:10.1016/j.ssnmr.2016.05.004 ISSN 0926-2040.
This list was generated on Fri Apr 19 22:39:29 2024 BST.