J
James Alexis Platts
Researcher at Cardiff University
Publications - 241
Citations - 7776
James Alexis Platts is an academic researcher from Cardiff University. The author has contributed to research in topics: Hydrogen bond & Density functional theory. The author has an hindex of 42, co-authored 231 publications receiving 7152 citations. Previous affiliations of James Alexis Platts include University of South Australia & Aarhus University.
Papers
More filters
Journal ArticleDOI
The α-effect in iminium ion catalysis
Julie L. Cavill,Richard L. Elliott,Gareth J. S. Evans,Ian L. Jones,James Alexis Platts,Antonio M. Ruda,Nicholas C. O. Tomkinson +6 more
TL;DR: The?-effect can be used as an effective means to promote iminium ion catalysed transformations, providing acyclic scaffolds to aid in catalyst design.
Journal ArticleDOI
Prediction of logP for Pt(II) and Pt(IV) complexes: Comparison of statistical and quantum-chemistry based approaches.
Igor V. Tetko,Hristo P. Varbanov,Markus Galanski,Mona Talmaciu,James Alexis Platts,Mauro Ravera,Elisabetta Gabano +6 more
TL;DR: This study validates new and previously published models on a new set of 11 Pt(II) and 35 Pt(IV) complexes, which were kept blind during the model development step, and finds that all the developed models strongly overestimate logP values for the three complexes measured in the presence of DMSO.
Journal ArticleDOI
Cyclometalated cinchophen ligands on iridium(III): towards water-soluble complexes with visible luminescence
Rebecca Smith,Emily C. Stokes,Emily E. Langdon-Jones,James Alexis Platts,Benson M. Kariuki,Andrew Jon Hallett,Simon J. A. Pope +6 more
TL;DR: Eight cationic heteroleptic iridium(III) complexes were prepared in high yield from a cyclometalated iridium bridged-chloride dimer bearing two ethyl-2-phenylquinoline-4-carboxylate (epqc) ligands, and are luminescent with moderately long lifetimes indicative of phosphorescence.
Journal ArticleDOI
Auxiliary basis sets for density fitting-MP2 calculations: Nonrelativistic triple-ζ all-electron correlation consistent basis sets for the 3d elements Sc-Zn
TL;DR: Auxiliary basis sets for density fitting second-order Moller-Plesset perturbation theory (DF-MP2) have been optimized for use with the triple-zeta nonrelativistic all-electron correlation consistent orbital basis sets.
Journal ArticleDOI
Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Møller-Plesset perturbation theory.
TL;DR: After an analysis of the errors involved, an alternative method of producing reference data is proposed where DF-LMP2/aug-cc-pVTZ and DF- LMP2 /aug-CC-pVQZ energies for the whole complex are extrapolated to produce interaction energies that do not require many-body correction and show reduced error in estimation of the basis set limit.