Force-field-based energy minimizations of cellulose crystals

DOI

Structures and energy terms for cellulose Ibeta and II crystals composed of 52 chains of cellulose 6-mers, 8-mers, 10-mers, or 12-mers obtained from energy minimizations in two force fields.

Identifier
DOI https://doi.org/10.17617/3.1FPW2C
Metadata Access https://edmond.mpg.de/api/datasets/export?exporter=dataverse_json&persistentId=doi:10.17617/3.1FPW2C
Provenance
Creator Kullmann, Richard; Weikl, Thomas
Publisher Edmond
Publication Year 2024
Funding Reference International Max Planck Research School (IMPRS) on Multiscale Bio-Systems
OpenAccess true
Contact thomas.weikl(at)mpikg.mpg.de
Representation
Language English
Resource Type Dataset
Version 2
Discipline Other