求一句英语的重写关于DFT计算方面的，急！！！！帮忙啊高手！！
（不知符合本版内容不？没违规吧，还请版主谅解）
审稿人的意见：The first sentence of section "2.4" should be recomposed.
Molecular structures of new derivatives 1 and 2 in the ground state were optimized by a basis of density functional theory (DFT) method using Becke’s three parameter hybrid exchange-correlation functional (B3LYP) with a 6-31++G** basis set [26].
看了半天这句话，感觉也没上面错误啊，真的不知怎么写好，本人是药物化学方向，不是太懂计算方面，还请高手帮帮我！万分感谢！
[ Last edited by baiyuefei on 2011-8-9 at 13:38 ]
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New derivatives 1 and 2 (of the ground state) are optimized at B3LYP/6-31++G(d, p) level.
我不知道你的ground state是1还是2，还是两个都是，你自己定吧...
你好，不是明白，弱弱地问下：
我向您这么写就可以了吗？
您的这句话主语是 the ground state 吗？是基态被优化...
（state单数还是复数呢？）
发文章得准确些，还请高手谅解，麻烦您了！
The ground state structures of the new derivatives 1 and 2 were optimized using Becke’s three parameter hybrid exchange-correlation functional (B3LYP) with the 6-31++G** basis set [26].
其实，括号里的部分（of the ground state) 可以省略...通常我们说ground state，就是只有一个ground state，我不清楚1和2哪个是ground state，所以只好笼统地写 “它们都是在这个计算水平下优化的”...
如果你在前文已经说明了哪个是ground state，那么这里就不用写什么ground state了
，