Available identifiers
zbMath Open green.william-h DBLP 56/5911 Wikidata Q39587844 Scholia Q39587844 MaRDI QID Q218535
List of research outcomes
This list is not complete and representing at the moment only items from zbMATH Open and arXiv . We are working on additional sources - please check back here soon!
Publication Date of Publication Type Code and Data for the Publication: "Solvation free energies of anions: from new reference data to predictive models" 2025-02-13 Dataset Dataset for: Pooling solvent mixtures for solvation free energy predictions 2024-12-01 Dataset Supporting materials for: pKa Prediction in Non-Aqueous Solvents 2024-11-18 Dataset High Accuracy Barrier Heights, Enthalpies, and Rate Coefficients for Chemical Reactions 2024-08-15 Dataset RDB19-Rad 2024-06-05 Dataset Dataset, splits, models, and scripts for the QM descriptors prediction 2024-02-15 Dataset Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back 2023-12-22 Dataset Benchmark Data for Chemprop 2023-11-09 Dataset IonSolv-Aq Dataset for: Experimental Compilation and Computation of Hydration Free Energies for Ionic Solutes 2023-11-08 Dataset Dataset for "ConfSolv: Prediction of solute conformer free energies across a range of solvents" 2023-10-25 Dataset Data sets and machine learning models for: Machine learning from quantum chemistry to predict experimental solvent effects on reaction rates 2023-06-17 Dataset EnzymeMap 2023-04-18 Dataset Data sets and machine learning models for: Predicting critical properties and acentric factor of fluids using multi-task machine learning 2023-04-06 Dataset QM and COSMO-RS calculation results and experimental data for: Computing kinetic solvent effects and liquid phase rate constants using quantum chemistry and COSMO-RS methods 2023-03-17 Dataset Quantum calculation results for "Butyl Acetate Pyrolysis and Combustion Chemistry: Mechanism Generation and Shock Tube Experiments" 2022-10-24 Dataset SolProp Dataset for: Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures 2022-07-01 Dataset Datasets for: Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy 2022-01-19 Dataset Quantum calculation results for "Automatically Generated Model for Light Alkene Combustion" 2021-10-04 Dataset Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry 2020-03-18 Dataset Balanced Splitting and Rebalanced Splitting 2014-02-24 Paper Using adaptive proper orthogonal decomposition to solve the reaction-diffusion equation 2009-01-30 Paper On the one-dimensional recovery and microstructural evaluation of shocked alumina 2008-05-22 Paper Obtaining accurate solutions using reduced chemical kinetic models: a new model reduction method for models rigorously validated over ranges 2007-02-15 Paper Global solution of semi-infinite programs 2005-06-14 Paper Interval methods for semi-infinite programs 2005-04-25 Paper Rate-based screening of pressure-dependent reaction networks 2002-05-01 Paper
Research outcomes over time
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