,

Thomas A Manz1

  • 1Chemical & Materials Engineering, New Mexico State University Las Cruces NM 88001 USA tmanz@nmsu.edu.

RSC advances
|March 10, 2025
PubMed
概括

这项研究为原子模拟引入了五种新的二面扭矩模型潜力,改进了经典力场. 这些模型确保了数学一致性,并准确地预测了材料特性,通过量子化学计算验证.

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Crystal Field Theory - Tetrahedral and Square Planar Complexes

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