Published June 6, 2023 | Version v1
Dataset Open

Dataset for the article "Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps including Hydrogen Bonds"

  • 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

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Additional details

Related works

Is supplement to
Preprint: 10.26434/chemrxiv-2023-vb01m-v2 (DOI)
Journal article: 10.1021/acs.jctc.3c00613 (DOI)