Macro-Dipole-Constrainted Learning of Atomic Charges for Accurate Electrostat...

This is the data file associated with the publication: Macro-Dipole-Constrainted Learning of Atomic Charges for Accurate Electrostatic Potentials at Electrochemical Interfaces,...本数据集文件与下述已发表学术论文相关联：用于精准预测电化学界面（Electrochemical Interfaces）处静电势（Electrostatic Potentials）的宏观偶极约束原子电荷学习方法（Macro-Dipole-Constrainted Learning of Atomic Charges for Accurate Electrostatic Potentials at Electrochemical Interfaces），……