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Number of items: 9.
Journal Article
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.
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.
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.
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.
Thesis
Zilka, Miri (2017) Integrating calculation and experiment : developing processes and tools for NMR crystallography of organic solids. PhD thesis, University of Warwick.
Dataset
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]
Zilka, Miri, Yates, Jonathan R. and Brown, Steven P. (2018) Data for An NMR crystallography investigation of furosemide. [Dataset]
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]
This list was generated on Wed Apr 17 07:40:14 2024 BST.