The reaction of H3+ ion and O atom provides a pathway for synthesizing H2O in interstellar clouds, thus it has attracted a great deal of experimental and theoretical studies in the past few years.

• H3+离子与O 原子的反应对星际云化学有着重要的意义,它为星际云中合成H2O 提供了可能的途径,为此,我们构造了激发态H3O+ (T) 的全域势能面。 第二章详细介绍了本文构建激发态H3O+ (T) 全域势能面的方法和结果。