density functional theory

Wright, Patricia, Alex, Alexander, Nyaruwata, Tsitsi, Parsons, Teresa and 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). pp. 1025-1031. ISSN 0951-4198 (Print), 1097-0231 (Online) (doi:https://doi.org/10.1002/rcm.4458)

DFT

Alex, Alexander, Harvey, Sophie, Parsons, Teresa, Pullen, Frank S., Wright, Patricia and 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). pp. 2619-2627. ISSN 0951-4198 (Print), 1097-0231 (Online) (doi:https://doi.org/10.1002/rcm.4163)

ion mobility

Lapthorn, Cris, Pullen, Frank S., Chowdhry, Babur Z., Wright, Patricia, Perkins, George L. and Heredia, Yanira (2015) How useful is molecular modelling in combination with ion mobility mass spectrometry for 'small molecule' ion mobility collision cross-sections? Analyst, 140 (20). pp. 6814-6823. ISSN 0003-2654 (Print), 1364-5528 (Online) (doi:https://doi.org/10.1039/C5AN00411J)

maraviroc

Wright, Patricia, Alex, Alexander, Nyaruwata, Tsitsi, Parsons, Teresa and 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). pp. 1025-1031. ISSN 0951-4198 (Print), 1097-0231 (Online) (doi:https://doi.org/10.1002/rcm.4458)

mass spectral fragmentation

Wright, Patricia, Alex, Alexander, Nyaruwata, Tsitsi, Parsons, Teresa and 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). pp. 1025-1031. ISSN 0951-4198 (Print), 1097-0231 (Online) (doi:https://doi.org/10.1002/rcm.4458)

mass spectrometry

Lapthorn, Cris, Pullen, Frank S., Chowdhry, Babur Z., Wright, Patricia, Perkins, George L. and Heredia, Yanira (2015) How useful is molecular modelling in combination with ion mobility mass spectrometry for 'small molecule' ion mobility collision cross-sections? Analyst, 140 (20). pp. 6814-6823. ISSN 0003-2654 (Print), 1364-5528 (Online) (doi:https://doi.org/10.1039/C5AN00411J)

molecular structure

Alex, Alexander, Harvey, Sophie, Parsons, Teresa, Pullen, Frank S., Wright, Patricia and 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). pp. 2619-2627. ISSN 0951-4198 (Print), 1097-0231 (Online) (doi:https://doi.org/10.1002/rcm.4163)

tandem mass spectrometry

Alex, Alexander, Harvey, Sophie, Parsons, Teresa, Pullen, Frank S., Wright, Patricia and 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). pp. 2619-2627. ISSN 0951-4198 (Print), 1097-0231 (Online) (doi:https://doi.org/10.1002/rcm.4163)