反应坐标是一种根据反应途径加以图象化的一维坐标,用以表达化学反应的进行过程。利用简单的几何图表,加以表示单个或数个分子实体在化学反应中所经历转变的途径。
... 反应柱;反应塔 reaction column 反应坐标 reaction coordination 反应库仑侦检器 reaction coulometric detector ...
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The ground state corresponds to a bent 2A' SNO structure. The state-statecorrelation and the isomerization mechanism are also predicted by searching the transition states and the intrinsic reaction coordinate analysis.
基态结构为弯曲的SNO(~2A′)结构,通过寻找过渡态和内禀反应坐标分析预测了各稳定态之间的态态相关和异构化机理。
参考来源 - 生物模型小分子相互作用特征及电子转移反应性·2,447,543篇论文数据,部分数据来源于NoteExpress
计算得到各可能反应途径的过渡态,并经过内禀反应坐标分析加以证实。
The transition states of various possible reaction pathways were obtained and verified by internal reaction coordinate (IRC) analysis.
通过振动频率和内禀反应坐标(IRC)分析,对反应过渡态进行了确认。
The transition states of the two reaction paths are obtained and verified by the analysis of vibration and internal reaction coordinate (IRC).
计算得到各可能反应途径的过渡态,并通过内禀反应坐标(IRC)分析加以证实。
The transition states of various possible reaction pathways are obtained and are verified by internal reaction coordinate (IRC) analyzing.
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