Article

Pérez, Manuel, Peakman, Torren M., Alex, Alexander, Higginson, Paul D., Mitchell, John C. ORCID: 0000-0003-2945-3292 , Snowden, Martin J. ORCID: 0000-0002-1087-2692 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:https://doi.org/10.1021/jo0600149)

Sciabola, Simone, Alex, Alexander, Higginson, Paul D., Mitchell, John C. ORCID: 0000-0003-2945-3292 , Snowden, Martin J. ORCID: 0000-0002-1087-2692 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:https://doi.org/10.1021/jo051496b)