查询词典 tautomers
- 与 tautomers 相关的网络例句 [注：此内容来源于网络，仅供参考]
-
On this basis, preference conformations of tautomers were calculated by the B3LYP/6-311＋G** method, both in the gas and aqueous phases, with full geometry optimization.
采用B3LYP/6-311＋G**方法对处于优势构象时的各互变异构体进行了几何全优化，并计算出它们的总能量、焓、熵、吉布斯自由能。
-
The chromic processes and photochromic properties of the pigments may caused by the equilibrium changes in the ratio of azo-hydrazone tautomers.
上述偶氮染料共轭环扩大后，其碱性DMF稀溶液在红外灯光的照射下发生了变色现象，本文对其变色机理进行了探讨。
-
The preference conformations of 10 possible tautomers of 5-fluorocytosine were calculated by the BH-HLYP/6-311＋G** method, in both the gas and aqueous phases, with full geometry optimization.
采用BH-HLYP/6-311＋G**方法对10种气相和水相中可能存在的5-氟胞嘧啶互变异构体进行了几何全优化，并计算出它们的总能量和吉布斯自由能。
-
On this basis, preference conformations of tautomers were calculated by the B3LYP/6-311+G(superscript **) method, both in the gas and aqueous phases, with full geometry optimization. The Onsager solution theory model was employed for aqueous solution calculations.
采用B3LYP/6-311+G方法对处于优势构象时的各互变异构体进行了几何全优化，并计算出它们的总能量、焓、熵、吉布斯自由能。
-
Based on density functional theory and electronegativity equalization principle,applying an atom-bond electronegativity equalization σπ model,using a separated program,we calculated the charge distributions and dipole moments of guanine tautomers.
以密度泛函和电负性均衡原理为基础发展的原子-键电负性均衡方法的σπ模型。并结合自编程序，计算了鸟嘌呤五种异构体的电荷分布和偶极矩，计算结果表明，所计算出的电荷分布可以和从头算结果很好地关联。所计算的偶极矩与其它从头计算方法和力场方法相比总体趋势相同，进一步说明了ABEEMσπ模型的合理性
- 推荐网络例句
-
She gently rebuff ed him, but agreed that they could be friends
她婉言拒绝了，但同意作为朋友相处。
-
If in the penal farm, you were sure to be criticized.
要是在劳改农场，你等着挨绳子吧！
-
Several theories about reigniting and extinguishing of the arc have been refered.
本文综合考虑了几种电弧重燃和熄灭理论。