Replication Data for: Tuning Regioselectivity in Cyclopolymerization through...

In this dataset, all simulation data are listed. That includes all geometry optimizations and, where relevant, energy and/or partial charge calculations. All structures are...本数据集收录全部模拟数据，涵盖所有几何优化（Geometry Optimization）计算，以及相关场景下的能量及/或部分电荷（Partial Charge）计算。所有结构均……