Taking the effects of H-bonds into consideration, the authors added two water molecules in our calculation and simulated the case of forming H-bonds in crystal thymine.

• 考虑到胸腺嘧啶晶体粉末中每两个分子之间可能形成氢键，作者加入两个水分子来模拟晶体内分子间氢键的影响。