Intrinsic Reaction Coordinate [物化] 内禀反应坐标 ; 内禀反应坐标方法 ; 坐标 ; 采用内禀反应坐标
pseudo reaction coordinate 赝坐标法
intrinsic reaction coordinate irc 内禀反应坐标
reaction-coordinate theory 反应坐标理论
linear reaction coordinate 线性反应坐标
Reaction Coordinate Techniques 反应坐标法
Internal reaction coordinate calculation 内禀反应坐标计算
coordinate reaction 配位反应
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
以上来源于: WordNet
The transition states of various possible reaction pathways were obtained and verified by internal reaction coordinate (IRC) analysis.
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 are obtained and are verified by internal reaction coordinate (IRC) analyzing.
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 the two reaction paths are obtained and verified by the analysis of vibration and internal reaction coordinate (IRC).
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。
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