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Maryam Mansoori Kermani1, Donald G Truhlar1

  • 1Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.

概括

本研究为集群Li4和Li5.5提供了基准能量计算. 这些基准评估了各种计算化学方法的准确性,以预测集群结构和能量.