Items where Division is "Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry" and Year is 2024

Adair, Lily R. and Cramer, Rainer (2024): Dataset to support 'LAP-MALDI MS analysis of amelogenin from teeth for biological sex estimation'. University of Reading. Dataset. https://researchdata.reading.ac.uk/id/eprint/1331

Cafiero, Mauricio (2024): Dataset supporting the article 'The role of exact exchange and empirical dispersion in density functional theory-based three-body non-covalent interactions'. University of Reading. Dataset. https://doi.org/10.17864/1947.001323

Cafiero, Mauricio (2024): Dataset supporting the article 'Transformer-decoder GPT models for generating virtual screening libraries of HMGCR inhibitors: effects of temperature, prompt-length and transfer-learning strategies'. University of Reading. Dataset. https://doi.org/10.17864/1947.001340

Cafiero, Mauricio and Harle, Joshua (2024): Dataset supporting the article 'Benchmark CCSD(T) and density functional theory calculations of biologically relevant catecholic systems'. University of Reading. Dataset. https://doi.org/10.17864/1947.000532

Challen, Bob, Adair, Lily R. and Cramer, Rainer (2024): Dataset to support 'Liquid atmospheric pressure matrix-assisted laser desorption/ionization (LAP-MALDI) mass spectrometry using a commercial ion source and Orbitrap mass analyzer'. University of Reading. Dataset. https://doi.org/10.17864/1947.001326

Hall, Charlotte, Ferrer, Pilar and Grau-Crespo, Ricardo (2024): Dataset supporting the article 'Spinel Ferrites MFe2O4 (M = Co, Cu, Zn) for photocatalysis: theoretical and experimental insights'. University of Reading. Dataset. https://doi.org/10.17864/1947.001342

Lellman, Sophie and Cramer, Rainer (2024): Dataset to support LAP-MALDI MS profiling and identification of biomarkers for the detection of bovine tuberculosis. University of Reading. Dataset. https://doi.org/10.17864/1947.000443

Towers Tompkins, Frances, Grau-Crespo, Ricardo and Lovelock, Kevin (2024): Dataset supporting the article 'Anion-dependent strength scale of interactions in ionic liquids from X-ray photoelectron spectroscopy, ab initio molecular dynamics, and density functional theory'. University of Reading. Dataset. https://doi.org/10.17864/1947.001317

Towers Tompkins, Frances, Matthews, Richard and Lovelock, Kevin (2024): Dataset supporting the article 'Controlling and predicting alkyl-onium electronic structure'. University of Reading. Dataset. https://doi.org/10.17864/1947.001349