Publication data for: "Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design", data from Kästner grouphttps://doi.org/10.18419/darus-1246Schuldt, RobinKästner, JohannesNaumann, StefanDaRUS2021-04-152023-08-08T09:42:32ZAll primary data files and processed data of the journal article from Kästner group. The input and output of each DFT calculation in one directory.ChemistryProton Affinities (PA)N-Heterocyclic Olefines (NHOs)Density Functional Theory (DFT)Molecular Electrostatic Potentials (MEP)Partial ChargesSchuldt, R., Kästner, J., & Naumann, S. “Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design.” J. Org. Chem. 84, 2209-2218 (2019), doi, 10.1021/acs.joc.8b03202, https://doi.org/10.1021/acs.joc.8b032022021-04-15Schuldt, Robin2021-01-18CC BY 4.0