自然键轨道分析 Natural Bond Orbital ; NBO ; Natural Bond Orbital Analysis
由自然键轨道分析 Natural Bond Orbital ; NBO
利用自然键轨道分析 Natural Bond Orbital ; NBO
分子轨道分析 molecular orbital analysis
轨道成键分析 Orbital binding analysis
轨道动力分析 dynamic analysis of railway track
轨道导航分析程序 orbit navigation analysis program
轨道对称性分析 analysis of frontier orbital symmetry
轨道稳定性分析 Orbital Stability analysis
由自然键轨道分析揭示了相互作用的本质。
Natural bond orbital analysis was performed to reveal the origin of the interaction.
在此基础上通过轨道分析，探索了分子内部电子跃迁的机理。
On this basis, the mechanics of electronic transition in these molecules has been discussed through molecular orbital analysis.
自然键轨道分析表明分子内与分子间超共轭和重杂化理论可以解释这些氢键的形成机制。
Natural bond orbital analysis shows that these H-bonds can be interpreted with the theory of inter-and intra-molecular hyperconjugation and rehybridization.
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