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Updated: May 12, 2025

Synthesis of Zeolites Using the ADOR Assembly-Disassembly-Organization-Reassembly Route
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一个分子间潜力,准确地描述了12环氧化石的特性

S A M Shamimul Ahsan1,2, Govardhan Reddy2, Smeer Durani3

  • 1Atomic Mineral Directorate For Exploration & Research, Nongmynsong, Shillong 793019, India.

Journal of chemical theory and computation
|May 9, 2025
PubMed
概括

一个新的力场,aHSFF-G,准确地模拟了12个环状的化. 这种改进的模型捕捉了温度依赖的窗口大小和结构参数,经过DFT和实验数据的验证.

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