Items where Author is "Harle, Joshua"

Dataset

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

Cafiero, Mauricio and Harle, Joshua (2023): Dataset for an ab initio study of the selectivity of dopamine and other ligands for various dopamine-related enzymes. University of Reading. Dataset. https://doi.org/10.17864/1947.000459

Cafiero, Mauricio and Harle, Joshua (2023): Dataset supporting the article 'Evaluation of empirical-dispersion-corrected, range-separated, double hybrid, and Meta-GGA density functional theory methods for interactions important in catecholic ligand/protein binding'. University of Reading. Dataset. https://doi.org/10.17864/1947.000484