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General purpose Gaussian approximation potential for P with Hirshfeld volumes for vdW corrections

Open access
DOI10.5281/zenodo.14013796
Heikki Muhli, Miguel A. Caro2024
Open access
DOI10.5281/zenodo.14013796
Research data information icon

Supporting Information for How to Predict the pKa of Any Compound in Any Solvent: Structures

Open access
DOI10.1021/acsomega.2c01393.s003
Elisabet Ahlberg, Ernst Ahlberg, Kari Laasonen, Michael Busch2022
Open access
DOI10.1021/acsomega.2c01393.s003
Research data information icon

Supporting Information for How to Predict the pKa of Any Compound in Any Solvent: Summary of all compounds

Open access
DOI10.1021/acsomega.2c01393.s002
Elisabet Ahlberg, Ernst Ahlberg, Kari Laasonen, Michael Busch2022
Open access
DOI10.1021/acsomega.2c01393.s002

General purpose Gaussian approximation potential for P with Hirshfeld volumes for vdW corrections

Open access
DOI10.5281/zenodo.14013796
2024

Supporting Information for How to Predict the pKa of Any Compound in Any Solvent: Structures

Open access
DOI10.1021/acsomega.2c01393.s003
2022

Supporting Information for How to Predict the pKa of Any Compound in Any Solvent: Summary of all compounds

Open access
DOI10.1021/acsomega.2c01393.s002
2022