Published June 6, 2023
| Version v1
Dataset
Open
Dataset for the article "Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps including Hydrogen Bonds"
Authors/Creators
- 1. Technical University of Denmark
Description
This dataset contains additional material related to the article: "Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps including Hydrogen Bonds". The published article can be found at https://doi.org/10.1021/acs.jctc.3c00613. A preprint is freely available at https://doi.org/10.26434/chemrxiv-2023-vb01m-v2. Each folder contains a Readme.md for further description.
Files
Data_MFCC_HB.zip
Additional details
Related works
- Is supplement to
- Preprint: 10.26434/chemrxiv-2023-vb01m-v2 (DOI)
- Journal article: 10.1021/acs.jctc.3c00613 (DOI)