ML_AB datasets - Hydorated covalent organic framework
Minami, Saori;Kin, Masane;Takahashi, Kazuki;Sato, Takashi;Jinnouchi, Ryosuke
Description
RPBE+D3 datasets for hydrated COFs in the VASP ML_AB format. It includes reference structures, energy, forces, and the stress tensor.File nameCOFside chain lengthwater uptakeML_AB_S3_0_1COF-S301ML_AB_S3_0_2COF-S302ML_AB_S3_0_4COF-S304ML_AB_S3_1_1COF-S311ML_AB_S3_1_2COF-S312ML_AB_S3_2_1COF-S321ML_AB_S3_2_2COF-S322ML_AB_S3_3_2COF-S332ML_AB_S6_0_05COF-S600.5ML_AB_S6_0_1COF-S601ML_AB_S6_0_2COF-S602ML_AB_S6_1_05COF-S610.5ML_AB_S6_1_1COF-S611ML_AB_S6_1_2COF-S612ML_AB_S6_2_1COF-S621ML_AB_S6_3_1COF-S631
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Publication Details
Subfield
Molecular Biology
Field
Biochemistry, Genetics and Molecular Biology
Domain
Life Sciences
Confidence Score
32%
Source
Scholar Data Model