The long range interaction simulated by polarizable continuum model, the hydrogen bonding interaction, and the whole interaction between the solute and the medium were separately investigated.

• 分别研究了由极化连续模型模拟的溶剂和溶质分子的长程相互作用，溶剂和溶质分子的氢键作用，以及溶剂和溶质分子的整体作用对分子结构和性质的影响。