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Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
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在冷凝相环聚合物表面跳跃中对角波恩-奥本海默校正.

Dil K Limbu1, Sandip Bhusal1, Diana M Castañeda-Bagatella1

  • 1Department of Chemistry and Environmental Science, New Jersey Institute of Technology, Newark, New Jersey 07102, USA.

The Journal of chemical physics
|December 15, 2025
PubMed
概括

环聚合物表面跳跃 (RPSH) 方法在模拟量子动力学方面表现有前途. 对于对称系统来说,RPSH-中心体近似 (RPSH-CA) 是准确的,对角波恩-奥本海默校正 (DBOC) 提供了中等的改进.

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