PHAST-MBD:PHAST 2.0,

Matthew Mostrom1, Adam Hogan1, Logan Ritter1

  • 1Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695, United States.

概括

PHAST-MBD力场准确地模拟了稀有气体的行为,包括液体和超临界流体. 这种新模型解释了多体分散相互作用,在高压下表现优于传统的对潜力.

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