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Items where Author is "Alex, Alexander"

Items where Author is "Alex, Alexander"

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Number of items: 13.

accuracy

Pérez, Manuel, Peakman, Torren M., Alex, Alexander, Higginson, Paul D., Mitchell, John C., Snowden, Martin J. and Morao, Iñaki (2006) Accuracy vs time dilemma on the prediction of NMR chemical shifts: a case study (chloropyrimidines). The Journal of Organic Chemistry, 71 (8). pp. 3103-3110. ISSN 0022-3263 (Print), 1520-6904 (Online) (doi:10.1021/jo0600149)

asymmetric catalysis

Sciabola, Simone, Alex, Alexander, Higginson, Paul D., Mitchell, John C., Snowden, Martin J. and Morao, Inaki (2005) Theoretical prediction of the enantiomeric excess in asymmetric catalysis. An alignment-independent molecular interaction field based approach. The Journal of Organic Chemistry, 70 (22). pp. 9025-9027. ISSN 0022-3263 (Print), 1520-6904 (Online) (doi:10.1021/jo051496b)

chloropyrimidines

Pérez, Manuel, Peakman, Torren M., Alex, Alexander, Higginson, Paul D., Mitchell, John C., Snowden, Martin J. and Morao, Iñaki (2006) Accuracy vs time dilemma on the prediction of NMR chemical shifts: a case study (chloropyrimidines). The Journal of Organic Chemistry, 71 (8). pp. 3103-3110. ISSN 0022-3263 (Print), 1520-6904 (Online) (doi:10.1021/jo0600149)

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: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:10.1002/rcm.4163)

enantiomeric excess

Sciabola, Simone, Alex, Alexander, Higginson, Paul D., Mitchell, John C., Snowden, Martin J. and Morao, Inaki (2005) Theoretical prediction of the enantiomeric excess in asymmetric catalysis. An alignment-independent molecular interaction field based approach. The Journal of Organic Chemistry, 70 (22). pp. 9025-9027. ISSN 0022-3263 (Print), 1520-6904 (Online) (doi:10.1021/jo051496b)

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: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:10.1002/rcm.4458)

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:10.1002/rcm.4163)

NMR chemical shifts

Pérez, Manuel, Peakman, Torren M., Alex, Alexander, Higginson, Paul D., Mitchell, John C., Snowden, Martin J. and Morao, Iñaki (2006) Accuracy vs time dilemma on the prediction of NMR chemical shifts: a case study (chloropyrimidines). The Journal of Organic Chemistry, 71 (8). pp. 3103-3110. ISSN 0022-3263 (Print), 1520-6904 (Online) (doi:10.1021/jo0600149)

prediction

Pérez, Manuel, Peakman, Torren M., Alex, Alexander, Higginson, Paul D., Mitchell, John C., Snowden, Martin J. and Morao, Iñaki (2006) Accuracy vs time dilemma on the prediction of NMR chemical shifts: a case study (chloropyrimidines). The Journal of Organic Chemistry, 71 (8). pp. 3103-3110. ISSN 0022-3263 (Print), 1520-6904 (Online) (doi:10.1021/jo0600149)

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:10.1002/rcm.4163)

time dilemma

Pérez, Manuel, Peakman, Torren M., Alex, Alexander, Higginson, Paul D., Mitchell, John C., Snowden, Martin J. and Morao, Iñaki (2006) Accuracy vs time dilemma on the prediction of NMR chemical shifts: a case study (chloropyrimidines). The Journal of Organic Chemistry, 71 (8). pp. 3103-3110. ISSN 0022-3263 (Print), 1520-6904 (Online) (doi:10.1021/jo0600149)

This list was generated on Sun Jun 24 01:27:11 2018 BST.