1) Transition state
过渡态
1.
Study on Vibrational Spectra of the Transition States of Reaction;
CH_2NH_2~+——CHNH~++H_2反应过渡态振动光谱研究
2.
A method to obtain the transition state by using HyperChem;
利用HyperChem获取反应过渡态的方法
3.
Efficient locating transition states for several systems;
几种过渡态结构的有效优化方法
2) transition states
过渡态
1.
The geometries of the reactants,intermediates,transition states and products were optimized at B3LYP/6-31G(d,p) level.
在B3LYP/6-31G(d,p)水平上优化得到了反应路径上的反应物、中间体、过渡态和产物的几何构型和谐振频率;并在B3LYP/6-311++G(2df,2pd)水平上进行了单点能计算。
2.
The geometry optimization of the reactants, products, and transition states is Calculated at the B3LYP/6-31G* level.
用密度泛函理论方法,在B3LYP/6-31G*水平上研究了3-羟基-5-甲基-异噁唑的异构化,优化了反应物、产物和过渡态的几何构型,采用MP2/6-31G*方法计算了单点能量,并用频率振动模式和内禀坐标(IRC)确证了过渡态的存在。
3.
In this paper, we have optimized the geometry configuration of reactants, productions, intermediates and transition states.
用量子化学从头计算中UMP2 (full)方法优化了C2 H3 自由基与O2 反应通道上驻点 (反应物、中间体、过渡态和产物 )的几何构型 ,在Gaussian 3(G3)水平上计算了它们的能量 。
3) transition-state
过渡态
1.
The transition-state for the unimolecular isomerization was conformed by the intrinsic reaction coordinate(IRC)calculation.
采用量子化学中的二阶微扰(MP2)方法,在6-311+G(3df,2p)水平上,利用Gaussian软件优化反应物,过渡态和生成物的几何结构,在相同水平上对反应物,过渡态和生成物进行了频率分析,同时完成了内禀反应坐标(IRC)分析。
2.
Investigative results about effect of alkali on β-elimination reaction in variable transition-state theory were enunciate
阐述了可变过渡态理论中关于碱对消除反应影响的研究结果。
4) late transition state
后过渡态
5) transitional state
过渡状态
1.
The paper expounds the differences of transitional state under control while figuring out the reaction of alkane halogenation in accordance with the transitional theory and principles based on Hammond hypothesis.
根据过渡状态理论及 Hammond假定的有关原理 ,找出烷烃卤代反应时 ,在控制步骤中不同卤素的过渡状态差异 ,得出烷烃卤代反应的选择性规律 。
2.
In the process of development,the expression has undergone an ambiguous transitional state.
:“而已”作为语气词表示限止 ,是由表陈述的“连词 +动词”结构演变来的 ,在其凝固成词的过程中 ,有一种两可的过渡状态。
6) transition state
过渡状态
1.
This article discusses the femto-chemistry, because it involves femtosecond laser pulses, and its research or monitor into chemical processes of transition state and intermediate.
讨论由飞秒激光脉冲所构成的飞秒化学,及其对化学反应过渡状态或中间体的研究和检测。
补充资料：过渡政府
1.新的政府没有产生之前的临时性政府，新政府组成后即告终了。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条