Details on charge calculations and the developed force field
收藏DataCite Commons2025-05-01 更新2025-03-22 收录
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https://aip.figshare.com/articles/dataset/Details_on_charge_calculations_and_the_developed_force_field/28107338/1
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资源简介：
Tar file containing LAMMPS input/output files for implementing the force field for functionalized hBN and cp2k input/output files for partial charge calculations
提供机构：
AIP Publishing
创建时间：
2025-01-29
