Wright, Patricia, Alex, Alexander, Harvey, Sophie, Parsons, Teresa, Pullen, Frank (2013) Understanding collision-induced dissociation of dofetilide: a case study in the application of density functional theory as an aid to mass spectral interpretation. The Analyst, 138 (22). 6869pp. doi:10.1039/c3an01103h

See Also

These are possibly similar items as determined by title/reference text matching only.

	Alex, Alexander, Harvey, Sophie, Parsons, Teresa, Pullen, Frank S., Wright, Patricia, Riley, Jo-Anne (2009) Can density functional theory (DFT) be used as an aid to a deeper understanding of tandem mass spectrometric fragmentation pathways?. Rapid Communications in Mass Spectrometry, 23 (17). 2619-2627 doi:10.1002/rcm.4163
	Wright, Patricia, Alex, Alexander, Nyaruwata, Tsitsi, Parsons, Teresa, Pullen, Frank (2010) Using density functional theory to rationalise the mass spectral fragmentation of maraviroc and its metabolites. Rapid Communications in Mass Spectrometry, 24 (7). 1025-1031 doi:10.1002/rcm.4458
	Wright, Patricia, Alex, Alexander, Pullen, Frank (2014) Predicting collision-induced dissociation spectra: Semi-empirical calculations as a rapid and effective tool in software-aided mass spectral interpretation. Rapid Communications in Mass Spectrometry, 28 (10). 1127-1143 doi:10.1002/rcm.6870
	Wright, Patricia, Alex, Alexander, Pullen, Frank (2016) Predicting collision-induced dissociation mass spectra: understanding the role of the mobile proton in small molecule fragmentation. Rapid Communications in Mass Spectrometry, 30 (9). 1163-1175 doi:10.1002/rcm.7521
	Wright, Patricia A., Alex, Alexander, Pullen, Frank S. (2015) Can computational chemistry be used to predict CID fragmentation of anions?. Rapid Communications in Mass Spectrometry, 29 (23). 2309-2315 doi:10.1002/rcm.7394
	Lapthorn, Cris, Pullen, Frank S., Chowdhry, Babur Z., Wright, Patricia, Perkins, George L., Heredia, Yanira (2015) How useful is molecular modelling in combination with ion mobility mass spectrometry for ‘small molecule’ ion mobility collision cross-sections?. The Analyst, 140 (20). 6814-6823 doi:10.1039/c5an00411j
	Zhou, Mowei, Dagan, Shai, Wysocki, Vicki H. (2013) Impact of charge state on gas-phase behaviors of noncovalent protein complexes in collision induced dissociation and surface induced dissociation. The Analyst, 138 (5). 1353pp. doi:10.1039/c2an36525a
	Harvey, Sophie R., Liu, Yang, Liu, Wen, Wysocki, Vicki H., Laganowsky, Arthur (2017) Surface induced dissociation as a tool to study membrane protein complexes. Chemical Communications, 53 (21). 3106-3109 doi:10.1039/c6cc09606a
	Quintyn, Royston S., Harvey, Sophie R., Wysocki, Vicki H. (2015) Illustration of SID-IM-SID (surface-induced dissociation-ion mobility-SID) mass spectrometry: homo and hetero model protein complexes. The Analyst, 140 (20). 7012-7019 doi:10.1039/c5an01095k
	Holman, Stephen W., Wright, Patricia, Langley, G. John (2011) The low-energy collision-induced dissociation product ion spectra of protonated beta-blockers reveal an analogy to fragmentation behaviour under electron ionisation conditions. Journal of Mass Spectrometry, 46 (11). 1182-1185 doi:10.1002/jms.2006
	Amunugama, R., Rodgers, M. T. (2001) Periodic Trends in the Binding of Metal Ions to Pyrimidine Studied by Threshold Collision-Induced Dissociation and Density Functional Theory. The Journal of Physical Chemistry A, 105 (43). 9883-9892 doi:10.1021/jp010663i